6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine

C15H19N5 — CID 11380197

IUPAC6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCC(c3ccccc3)CC2)nc(N)n1
InChIInChI=1S/C15H19N5/c16-13-10-14(19-15(17)18-13)20-8-6-12(7-9-20)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H4,16,17,18,19)
InChIKeyCMJNXRWKIMSGDN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.03
Rot. Bonds2

About 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine

6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 11380197) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine
PubChem CID11380197
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCC(c3ccccc3)CC2)nc(N)n1
InChIInChI=1S/C15H19N5/c16-13-10-14(19-15(17)18-13)20-8-6-12(7-9-20)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H4,16,17,18,19)
InChIKeyCMJNXRWKIMSGDN-UHFFFAOYSA-N
XLogP2.03
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine (CID 11380197) is 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine is Nc1cc(N2CCC(c3ccccc3)CC2)nc(N)n1.
What is the InChIKey of 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is CMJNXRWKIMSGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-13-10-14(19-15(17)18-13)20-8-6-12(7-9-20)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H4,16,17,18,19).
What are the key properties of 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine?
6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11380197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).