N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C18H26N6 — CID 166258999

IUPACN,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C(C)C)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C18H26N6/c1-14(2)22(4)17-13-15(3)20-18(21-17)24-11-9-23(10-12-24)16-7-5-6-8-19-16/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPMNHZBOZUBXGDY-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.35
Rot. Bonds4

About N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 166258999) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID166258999
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C(C)C)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C18H26N6/c1-14(2)22(4)17-13-15(3)20-18(21-17)24-11-9-23(10-12-24)16-7-5-6-8-19-16/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPMNHZBOZUBXGDY-UHFFFAOYSA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-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

4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923910
N-(4-fluorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923922
N-(2-chlorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923923
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
N-(4-ethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923915
N-(5-chloro-2-methylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923927
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327240

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 166258999) is N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(N(C)C(C)C)nc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is PMNHZBOZUBXGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-14(2)22(4)17-13-15(3)20-18(21-17)24-11-9-23(10-12-24)16-7-5-6-8-19-16/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 166258999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).