N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C27H30N6O2 — CID 46200058

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cccc(Cc2nc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc3c2CN(C)CC3)c1
InChIInChI=1S/C27H30N6O2/c1-18-15-33(17-28-18)25-9-8-20(14-26(25)35-4)29-27-30-23-10-11-32(2)16-22(23)24(31-27)13-19-6-5-7-21(12-19)34-3/h5-9,12,14-15,17H,10-11,13,16H2,1-4H3,(H,29,30,31)
InChIKeyONRJSKYYCNCLDA-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.31
Rot. Bonds7

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 46200058) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID46200058
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cccc(Cc2nc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc3c2CN(C)CC3)c1
InChIInChI=1S/C27H30N6O2/c1-18-15-33(17-28-18)25-9-8-20(14-26(25)35-4)29-27-30-23-10-11-32(2)16-22(23)24(31-27)13-19-6-5-7-21(12-19)34-3/h5-9,12,14-15,17H,10-11,13,16H2,1-4H3,(H,29,30,31)
InChIKeyONRJSKYYCNCLDA-UHFFFAOYSA-N
XLogP4.31
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 59333801
1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-[2-(oxolan-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 59333752
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
tert-butyl 2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-[2-(oxolan-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 59333773
6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 91526239
4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 67424510
5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 25106370
4-benzyl-N-[4-(3,6-dimethyl-4,5-dihydroazepin-1-yl)-3-methoxyphenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 91166373
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 46200058) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1cccc(Cc2nc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc3c2CN(C)CC3)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is ONRJSKYYCNCLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18-15-33(17-28-18)25-9-8-20(14-26(25)35-4)29-27-30-23-10-11-32(2)16-22(23)24(31-27)13-19-6-5-7-21(12-19)34-3/h5-9,12,14-15,17H,10-11,13,16H2,1-4H3,(H,29,30,31).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 470.58 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[(3-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46200058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).