2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine

C13H17N7 — CID 59744219

IUPAC2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCN(c3cncnc3)CC2)n1
InChIInChI=1S/C13H17N7/c14-12-1-4-17-13(19-12)18-10-2-5-20(6-3-10)11-7-15-9-16-8-11/h1,4,7-10H,2-3,5-6H2,(H3,14,17,18,19)
InChIKeyOYIQKLONRUQNTC-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.93
Rot. Bonds3

About 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine

2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 59744219) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID59744219
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCN(c3cncnc3)CC2)n1
InChIInChI=1S/C13H17N7/c14-12-1-4-17-13(19-12)18-10-2-5-20(6-3-10)11-7-15-9-16-8-11/h1,4,7-10H,2-3,5-6H2,(H3,14,17,18,19)
InChIKeyOYIQKLONRUQNTC-UHFFFAOYSA-N
XLogP0.93
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 59744219) is 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine is Nc1ccnc(NC2CCN(c3cncnc3)CC2)n1.
What is the InChIKey of 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is OYIQKLONRUQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c14-12-1-4-17-13(19-12)18-10-2-5-20(6-3-10)11-7-15-9-16-8-11/h1,4,7-10H,2-3,5-6H2,(H3,14,17,18,19).
What are the key properties of 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 271.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59744219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).