N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C18H25N7 — CID 154883399

IUPACN,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)n1
InChIInChI=1S/C18H25N7/c1-23(2)16-7-8-19-18(22-16)25-11-9-24(10-12-25)17-14-5-3-4-6-15(14)20-13-21-17/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyAEFDAMDYPJGVGT-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.54
Rot. Bonds3

About N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 154883399) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID154883399
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)n1
InChIInChI=1S/C18H25N7/c1-23(2)16-7-8-19-18(22-16)25-11-9-24(10-12-25)17-14-5-3-4-6-15(14)20-13-21-17/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyAEFDAMDYPJGVGT-UHFFFAOYSA-N
XLogP1.54
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 155976248
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 146079492
N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 133461061
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 133383678
N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155800620
4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 163356876

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 154883399) is N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine is CN(C)c1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is AEFDAMDYPJGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-23(2)16-7-8-19-18(22-16)25-11-9-24(10-12-25)17-14-5-3-4-6-15(14)20-13-21-17/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 339.45 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 154883399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).