N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine

C17H23N5 — CID 56768486

IUPACN-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCCNC2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H23N5/c1-2-5-14-10-16(20-15-7-4-9-19-12-15)22-17(21-14)13-6-3-8-18-11-13/h3,6,8,10-11,15,19H,2,4-5,7,9,12H2,1H3,(H,20,21,22)
InChIKeyMMRCLLPJYPYSCS-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.65
Rot. Bonds5

About N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine

N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 56768486) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID56768486
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCCNC2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H23N5/c1-2-5-14-10-16(20-15-7-4-9-19-12-15)22-17(21-14)13-6-3-8-18-11-13/h3,6,8,10-11,15,19H,2,4-5,7,9,12H2,1H3,(H,20,21,22)
InChIKeyMMRCLLPJYPYSCS-UHFFFAOYSA-N
XLogP2.65
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine (CID 56768486) is N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine is CCCc1cc(NC2CCCNC2)nc(-c2cccnc2)n1.
What is the InChIKey of N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is MMRCLLPJYPYSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-5-14-10-16(20-15-7-4-9-19-12-15)22-17(21-14)13-6-3-8-18-11-13/h3,6,8,10-11,15,19H,2,4-5,7,9,12H2,1H3,(H,20,21,22).
What are the key properties of N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine?
N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56768486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).