2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine

C10H8ClN5O — CID 142498706

IUPAC2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3ccoc23)c1
InChIInChI=1S/C10H8ClN5O/c1-16-4-7(12-5-16)14-9-8-6(2-3-17-8)13-10(11)15-9/h2-5H,1H3,(H,13,14,15)
InChIKeyYQWMWXBPBMWUKO-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine

2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 142498706) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine
PubChem CID142498706
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3ccoc23)c1
InChIInChI=1S/C10H8ClN5O/c1-16-4-7(12-5-16)14-9-8-6(2-3-17-8)13-10(11)15-9/h2-5H,1H3,(H,13,14,15)
InChIKeyYQWMWXBPBMWUKO-UHFFFAOYSA-N
XLogP2.35
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 60531
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CID 4179181
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
Barmastine
CID 71300
6-Furan-2-yl-9-phenyl-9H-purin-2-ylamine
CID 44401937
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CID 6538801
2-(furan-2-yl)-N-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 7066853
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 3237768
2-(5-methylfuran-2-yl)-N-phenylimidazo[1,2-a]pyrazin-3-amine
CID 5308934
7-(2-Furyl)-3-(2-pyridylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9857266
4-(2-furanyl)-N-[3-(1H-imidazol-1-yl)phenyl]-2-pyrimidinamine
CID 14347116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine (CID 142498706) is 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine is Cn1cnc(Nc2nc(Cl)nc3ccoc23)c1.
What is the InChIKey of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is YQWMWXBPBMWUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c1-16-4-7(12-5-16)14-9-8-6(2-3-17-8)13-10(11)15-9/h2-5H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine?
2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 249.66 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142498706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).