N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine

C18H21N7 — CID 126895928

IUPACN,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(c4ccncn4)CC3)cc12
InChIInChI=1S/C18H21N7/c1-23(2)18-15-11-14(3-4-16(15)20-13-22-18)24-7-9-25(10-8-24)17-5-6-19-12-21-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyBPZKTDDUDUWERO-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.81
Rot. Bonds3

About N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine

N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 126895928) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
PubChem CID126895928
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(c4ccncn4)CC3)cc12
InChIInChI=1S/C18H21N7/c1-23(2)18-15-11-14(3-4-16(15)20-13-22-18)24-7-9-25(10-8-24)17-5-6-19-12-21-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyBPZKTDDUDUWERO-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine
CID 126895943
2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126895692
N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895937
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
N,N-dimethyl-6-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895875
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine (CID 126895928) is N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine is CN(C)c1ncnc2ccc(N3CCN(c4ccncn4)CC3)cc12.
What is the InChIKey of N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is BPZKTDDUDUWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-23(2)18-15-11-14(3-4-16(15)20-13-22-18)24-7-9-25(10-8-24)17-5-6-19-12-21-17/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine?
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 335.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 126895928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).