2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile

C16H16N4 — CID 166636407

IUPAC2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1C1CCCC1
InChIInChI=1S/C16H16N4/c17-10-13-14(11-6-2-1-3-7-11)19-16(18)20-15(13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H2,18,19,20)
InChIKeyCCBLSPAHUJSBTG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.26
Rot. Bonds2

About 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile

2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166636407) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile
PubChem CID166636407
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1C1CCCC1
InChIInChI=1S/C16H16N4/c17-10-13-14(11-6-2-1-3-7-11)19-16(18)20-15(13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H2,18,19,20)
InChIKeyCCBLSPAHUJSBTG-UHFFFAOYSA-N
XLogP3.26
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile (CID 166636407) is 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N)nc1C1CCCC1.
What is the InChIKey of 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is CCBLSPAHUJSBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-10-13-14(11-6-2-1-3-7-11)19-16(18)20-15(13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H2,18,19,20).
What are the key properties of 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166636407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).