6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C15H20N6 — CID 112857915

IUPAC6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NCc3cccnc3)ncn2)CC1
InChIInChI=1S/C15H20N6/c1-20-5-7-21(8-6-20)15-9-14(18-12-19-15)17-11-13-3-2-4-16-10-13/h2-4,9-10,12H,5-8,11H2,1H3,(H,17,18,19)
InChIKeyFIAOFXPCNSRCRU-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.24
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 112857915) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID112857915
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NCc3cccnc3)ncn2)CC1
InChIInChI=1S/C15H20N6/c1-20-5-7-21(8-6-20)15-9-14(18-12-19-15)17-11-13-3-2-4-16-10-13/h2-4,9-10,12H,5-8,11H2,1H3,(H,17,18,19)
InChIKeyFIAOFXPCNSRCRU-UHFFFAOYSA-N
XLogP1.24
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112860750
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 102078238
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 112857915) is 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CN1CCN(c2cc(NCc3cccnc3)ncn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is FIAOFXPCNSRCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20-5-7-21(8-6-20)15-9-14(18-12-19-15)17-11-13-3-2-4-16-10-13/h2-4,9-10,12H,5-8,11H2,1H3,(H,17,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 284.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112857915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).