2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane

C16H21N5O — CID 156716151

IUPAC2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
SMILESCC.N#Cc1c(NC2CCCC2)nc(N)nc1-c1ccco1
InChIInChI=1S/C14H15N5O.C2H6/c15-8-10-12(11-6-3-7-20-11)18-14(16)19-13(10)17-9-4-1-2-5-9;1-2/h3,6-7,9H,1-2,4-5H2,(H3,16,17,18,19);1-2H3
InChIKeyHLWXPZNYUFJDIX-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane

2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane (PubChem CID 156716151) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane.

Molecular Properties

Compound Name2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
PubChem CID156716151
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
SMILESCC.N#Cc1c(NC2CCCC2)nc(N)nc1-c1ccco1
InChIInChI=1S/C14H15N5O.C2H6/c15-8-10-12(11-6-3-7-20-11)18-14(16)19-13(10)17-9-4-1-2-5-9;1-2/h3,6-7,9H,1-2,4-5H2,(H3,16,17,18,19);1-2H3
InChIKeyHLWXPZNYUFJDIX-UHFFFAOYSA-N
XLogP3.57
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
CID 18507326
2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
CID 141237980
2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079385
N-cyclohexyl-3-(furan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 68781111
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924933
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
CID 45028806
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-(cyclohexylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 3439401

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane?
The IUPAC name of 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane (CID 156716151) is 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane.
What is the SMILES notation for 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane?
The canonical SMILES for 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane is CC.N#Cc1c(NC2CCCC2)nc(N)nc1-c1ccco1.
What is the InChIKey of 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane?
The InChIKey is HLWXPZNYUFJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.C2H6/c15-8-10-12(11-6-3-7-20-11)18-14(16)19-13(10)17-9-4-1-2-5-9;1-2/h3,6-7,9H,1-2,4-5H2,(H3,16,17,18,19);1-2H3.
What are the key properties of 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane?
2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane has a molecular weight of 299.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane is sourced from PubChem (CID 156716151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).