2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine

C15H19N5 — CID 142347682

IUPAC2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(C3CCNCC3)cc2)n1
InChIInChI=1S/C15H19N5/c16-14-7-10-18-15(20-14)19-13-3-1-11(2-4-13)12-5-8-17-9-6-12/h1-4,7,10,12,17H,5-6,8-9H2,(H3,16,18,19,20)
InChIKeyTYAHRAJLZVJPHZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds3

About 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine

2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 142347682) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID142347682
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(C3CCNCC3)cc2)n1
InChIInChI=1S/C15H19N5/c16-14-7-10-18-15(20-14)19-13-3-1-11(2-4-13)12-5-8-17-9-6-12/h1-4,7,10,12,17H,5-6,8-9H2,(H3,16,18,19,20)
InChIKeyTYAHRAJLZVJPHZ-UHFFFAOYSA-N
XLogP2.27
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine (CID 142347682) is 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccc(C3CCNCC3)cc2)n1.
What is the InChIKey of 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is TYAHRAJLZVJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-14-7-10-18-15(20-14)19-13-3-1-11(2-4-13)12-5-8-17-9-6-12/h1-4,7,10,12,17H,5-6,8-9H2,(H3,16,18,19,20).
What are the key properties of 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine?
2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 142347682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).