[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine

C15H25N5 — CID 56723651

IUPAC[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C15H25N5/c1-12-17-13(11-16)10-15(18-12)20-8-4-14(5-9-20)19-6-2-3-7-19/h10,14H,2-9,11,16H2,1H3
InChIKeyPBXVBYFRELOKQK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.31
Rot. Bonds3

About [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine

[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 56723651) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID56723651
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C15H25N5/c1-12-17-13(11-16)10-15(18-12)20-8-4-14(5-9-20)19-6-2-3-7-19/h10,14H,2-9,11,16H2,1H3
InChIKeyPBXVBYFRELOKQK-UHFFFAOYSA-N
XLogP1.31
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine (CID 56723651) is [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine is Cc1nc(CN)cc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is PBXVBYFRELOKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-12-17-13(11-16)10-15(18-12)20-8-4-14(5-9-20)19-6-2-3-7-19/h10,14H,2-9,11,16H2,1H3.
What are the key properties of [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 56723651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).