4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

C15H21N7 — CID 22329454

IUPAC4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCNc1nc(N2CCN(c3ccccn3)CC2)nc(N)c1C
InChIInChI=1S/C15H21N7/c1-11-13(16)19-15(20-14(11)17-2)22-9-7-21(8-10-22)12-5-3-4-6-18-12/h3-6H,7-10H2,1-2H3,(H3,16,17,19,20)
InChIKeyAGEKZYLXOAFKDF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.13
Rot. Bonds3

About 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 22329454) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID22329454
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCNc1nc(N2CCN(c3ccccn3)CC2)nc(N)c1C
InChIInChI=1S/C15H21N7/c1-11-13(16)19-15(20-14(11)17-2)22-9-7-21(8-10-22)12-5-3-4-6-18-12/h3-6H,7-10H2,1-2H3,(H3,16,17,19,20)
InChIKeyAGEKZYLXOAFKDF-UHFFFAOYSA-N
XLogP1.13
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103362422
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949154
1-[4-(3,5-diaminopiperidin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103668
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 22329454) is 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine is CNc1nc(N2CCN(c3ccccn3)CC2)nc(N)c1C.
What is the InChIKey of 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is AGEKZYLXOAFKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-11-13(16)19-15(20-14(11)17-2)22-9-7-21(8-10-22)12-5-3-4-6-18-12/h3-6H,7-10H2,1-2H3,(H3,16,17,19,20).
What are the key properties of 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine?
4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 22329454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).