N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine

C16H20N4 — CID 53234793

IUPACN-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cnc(-c2ccccn2)nc1NC1CCCC1
InChIInChI=1S/C16H20N4/c1-2-12-11-18-16(14-9-5-6-10-17-14)20-15(12)19-13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyPWZMCPDJTPAZRI-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine

N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 53234793) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID53234793
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cnc(-c2ccccn2)nc1NC1CCCC1
InChIInChI=1S/C16H20N4/c1-2-12-11-18-16(14-9-5-6-10-17-14)20-15(12)19-13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyPWZMCPDJTPAZRI-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 53234793) is N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine is CCc1cnc(-c2ccccn2)nc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is PWZMCPDJTPAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-12-11-18-16(14-9-5-6-10-17-14)20-15(12)19-13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 53234793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).