2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine

C9H8ClN3O — CID 22308396

IUPAC2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESClc1nccc(NCc2ccco2)n1
InChIInChI=1S/C9H8ClN3O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h1-5H,6H2,(H,11,12,13)
InChIKeySCECDSPPNXXKAE-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine

2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 22308396) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
PubChem CID22308396
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESClc1nccc(NCc2ccco2)n1
InChIInChI=1S/C9H8ClN3O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h1-5H,6H2,(H,11,12,13)
InChIKeySCECDSPPNXXKAE-UHFFFAOYSA-N
XLogP2.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 11424684
N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide
CID 11380183
1-(5-Bromopyridin-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 978178
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
2-(4,6-diaminopyrimidin-2-ylthio)-N-(2-furylmethyl)acetamide
CID 2148140
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823
5-chloro-4-N-(furan-2-ylmethyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665848
N-(5-methylpyridin-2-yl)furan-2-carboxamide
CID 835267
N-[(Furan-2-yl)methyl]pyridin-2-amine
CID 252569
N-(6-Chloro-2-pyrazinyl)-N-(2-furylmethyl)amine
CID 21919348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine (CID 22308396) is 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine is Clc1nccc(NCc2ccco2)n1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is SCECDSPPNXXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h1-5H,6H2,(H,11,12,13).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 209.64 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 22308396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).