6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride

C18H19ClN6O2 — CID 45265782

IUPAC6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride
SMILESCOC[C@H](C)Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1.Cl
InChIInChI=1S/C18H18N6O2.ClH/c1-12(9-25-2)21-17-7-15(13-4-6-26-10-13)22-18(23-17)24-11-20-14-3-5-19-8-16(14)24;/h3-8,10-12H,9H2,1-2H3,(H,21,22,23);1H/t12-;/m0./s1
InChIKeyHYIZYKALRRUCKV-YDALLXLXSA-N
MW386.84 g/mol
LogP3.34
Rot. Bonds6

About 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride

6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride (PubChem CID 45265782) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride
PubChem CID45265782
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride
SMILESCOC[C@H](C)Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1.Cl
InChIInChI=1S/C18H18N6O2.ClH/c1-12(9-25-2)21-17-7-15(13-4-6-26-10-13)22-18(23-17)24-11-20-14-3-5-19-8-16(14)24;/h3-8,10-12H,9H2,1-2H3,(H,21,22,23);1H/t12-;/m0./s1
InChIKeyHYIZYKALRRUCKV-YDALLXLXSA-N
XLogP3.34
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 60531
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
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9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
2-chloro-6-(2-furyl)-9-(4-methoxyphenylmethyl)-9H-purine
CID 5270751
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride (CID 45265782) is 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride is COC[C@H](C)Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1.Cl.
What is the InChIKey of 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride?
The InChIKey is HYIZYKALRRUCKV-YDALLXLXSA-N. The full InChI is InChI=1S/C18H18N6O2.ClH/c1-12(9-25-2)21-17-7-15(13-4-6-26-10-13)22-18(23-17)24-11-20-14-3-5-19-8-16(14)24;/h3-8,10-12H,9H2,1-2H3,(H,21,22,23);1H/t12-;/m0./s1.
What are the key properties of 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride?
6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride has a molecular weight of 386.84 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-2-imidazo[4,5-c]pyridin-3-yl-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 45265782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).