6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine

C14H18N6 — CID 22543393

IUPAC6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccncc2)ncnc1N1CCCCC1
InChIInChI=1S/C14H18N6/c15-12-13(19-11-4-6-16-7-5-11)17-10-18-14(12)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,15H2,(H,16,17,18,19)
InChIKeySYVBDVHGLVUMHY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.19
Rot. Bonds3

About 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine

6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine (PubChem CID 22543393) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
PubChem CID22543393
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccncc2)ncnc1N1CCCCC1
InChIInChI=1S/C14H18N6/c15-12-13(19-11-4-6-16-7-5-11)17-10-18-14(12)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,15H2,(H,16,17,18,19)
InChIKeySYVBDVHGLVUMHY-UHFFFAOYSA-N
XLogP2.19
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19137872
6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871
4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137506
6-(azepan-1-yl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 22547783
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338
6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
dimethyl 5-[[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547584

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine (CID 22543393) is 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine is Nc1c(Nc2ccncc2)ncnc1N1CCCCC1.
What is the InChIKey of 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine?
The InChIKey is SYVBDVHGLVUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-12-13(19-11-4-6-16-7-5-11)17-10-18-14(12)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9,15H2,(H,16,17,18,19).
What are the key properties of 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine?
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22543393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).