N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

C31H41N9O — CID 15295028

IUPACN-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
SMILESCN(C)c1ccc(CN(C)c2ncnc3c(N4CCOCC4)nc(N4CCC(N(C)C)CC4)nc23)c2ccccc12
InChIInChI=1S/C31H41N9O/c1-36(2)23-12-14-40(15-13-23)31-34-28-27(30(35-31)39-16-18-41-19-17-39)32-21-33-29(28)38(5)20-22-10-11-26(37(3)4)25-9-7-6-8-24(22)25/h6-11,21,23H,12-20H2,1-5H3
InChIKeyJRFHQBVJGKNDBZ-UHFFFAOYSA-N
MW555.73 g/mol
LogP3.64
Rot. Bonds7

About N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine (PubChem CID 15295028) has the molecular formula C31H41N9O and a molecular weight of 555.73 g/mol. Its IUPAC name is N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
PubChem CID15295028
Molecular FormulaC31H41N9O
Molecular Weight555.73 g/mol
Exact Mass555.34
IUPAC NameN-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
SMILESCN(C)c1ccc(CN(C)c2ncnc3c(N4CCOCC4)nc(N4CCC(N(C)C)CC4)nc23)c2ccccc12
InChIInChI=1S/C31H41N9O/c1-36(2)23-12-14-40(15-13-23)31-34-28-27(30(35-31)39-16-18-41-19-17-39)32-21-33-29(28)38(5)20-22-10-11-26(37(3)4)25-9-7-6-8-24(22)25/h6-11,21,23H,12-20H2,1-5H3
InChIKeyJRFHQBVJGKNDBZ-UHFFFAOYSA-N
XLogP3.64
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine with MolForge

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
CID 19961996
N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine
CID 67709065
N-benzyl-N-methyl-4-morpholin-4-yl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-8-amine;oxalic acid
CID 67801793
1-[8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 15295021
2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
CID 54312779
N,N-dimethyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-4-amine
CID 133381274
N-benzyl-2-chloro-N-methyl-8-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
CID 19961987
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine
CID 19962013
1-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 57394637
2-[[8-[benzyl(methyl)amino]-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol
CID 13043489
4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine
CID 7349051

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
The IUPAC name of N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine (CID 15295028) is N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine.
What is the SMILES notation for N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
The canonical SMILES for N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine is CN(C)c1ccc(CN(C)c2ncnc3c(N4CCOCC4)nc(N4CCC(N(C)C)CC4)nc23)c2ccccc12.
What is the InChIKey of N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
The InChIKey is JRFHQBVJGKNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N9O/c1-36(2)23-12-14-40(15-13-23)31-34-28-27(30(35-31)39-16-18-41-19-17-39)32-21-33-29(28)38(5)20-22-10-11-26(37(3)4)25-9-7-6-8-24(22)25/h6-11,21,23H,12-20H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine has a molecular weight of 555.73 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-[4-(dimethylamino)piperidin-1-yl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine is sourced from PubChem (CID 15295028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).