N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

C17H17N5O — CID 46960466

IUPACN-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESc1coc(-c2nc(NC3CCCC3)ncc2-c2cnccn2)c1
InChIInChI=1S/C17H17N5O/c1-2-5-12(4-1)21-17-20-10-13(14-11-18-7-8-19-14)16(22-17)15-6-3-9-23-15/h3,6-12H,1-2,4-5H2,(H,20,21,22)
InChIKeyHSJAYCDIUMBLOH-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.55
Rot. Bonds4

About N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 46960466) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
PubChem CID46960466
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESc1coc(-c2nc(NC3CCCC3)ncc2-c2cnccn2)c1
InChIInChI=1S/C17H17N5O/c1-2-5-12(4-1)21-17-20-10-13(14-11-18-7-8-19-14)16(22-17)15-6-3-9-23-15/h3,6-12H,1-2,4-5H2,(H,20,21,22)
InChIKeyHSJAYCDIUMBLOH-UHFFFAOYSA-N
XLogP3.55
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800139
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
CID 95800063
N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 95800111
N,4-dicyclopropyl-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857494
N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559210
2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 123184269
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-4-(1-methylimidazol-2-yl)azepan-4-ol
CID 110220025
N-cyclohexyl-3-(furan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 68781111
4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 155982497
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-(2-phenylcyclopentyl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 154841280
N-(2-bicyclo[2.2.1]heptanyl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559417

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (CID 46960466) is N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is c1coc(-c2nc(NC3CCCC3)ncc2-c2cnccn2)c1.
What is the InChIKey of N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is HSJAYCDIUMBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-5-12(4-1)21-17-20-10-13(14-11-18-7-8-19-14)16(22-17)15-6-3-9-23-15/h3,6-12H,1-2,4-5H2,(H,20,21,22).
What are the key properties of N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 307.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 46960466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).