6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine

C14H19N7 — CID 19138216

IUPAC6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(Nc3ccccn3)c2N)CC1
InChIInChI=1S/C14H19N7/c1-20-6-8-21(9-7-20)14-12(15)13(17-10-18-14)19-11-4-2-3-5-16-11/h2-5,10H,6-9,15H2,1H3,(H,16,17,18,19)
InChIKeyRCRNRMHQNGJSSL-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.95
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine

6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine (PubChem CID 19138216) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
PubChem CID19138216
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(Nc3ccccn3)c2N)CC1
InChIInChI=1S/C14H19N7/c1-20-6-8-21(9-7-20)14-12(15)13(17-10-18-14)19-11-4-2-3-5-16-11/h2-5,10H,6-9,15H2,1H3,(H,16,17,18,19)
InChIKeyRCRNRMHQNGJSSL-UHFFFAOYSA-N
XLogP0.95
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138926
ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147050
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
4-N-(3-chloro-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22545332
4-N,4-N-dimethyl-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136946
4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983
N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19138291
4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138304
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19153457
4-N-(3-chloro-4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138286

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine (CID 19138216) is 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine is CN1CCN(c2ncnc(Nc3ccccn3)c2N)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The InChIKey is RCRNRMHQNGJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-20-6-8-21(9-7-20)14-12(15)13(17-10-18-14)19-11-4-2-3-5-16-11/h2-5,10H,6-9,15H2,1H3,(H,16,17,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine has a molecular weight of 285.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19138216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).