[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol

C14H13ClN4O2 — CID 140914464

IUPAC[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N)nc3n2)cc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-21-12-4-8(7-20)9(5-10(12)15)11-6-19-3-2-13(16)18-14(19)17-11/h2-6,20H,7H2,1H3,(H2,16,17,18)
InChIKeySKMKQDGYLCVDLG-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.13
Rot. Bonds3

About [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol

[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914464) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914464
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N)nc3n2)cc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-21-12-4-8(7-20)9(5-10(12)15)11-6-19-3-2-13(16)18-14(19)17-11/h2-6,20H,7H2,1H3,(H2,16,17,18)
InChIKeySKMKQDGYLCVDLG-UHFFFAOYSA-N
XLogP2.13
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol (CID 140914464) is [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N)nc3n2)cc1Cl.
What is the InChIKey of [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is SKMKQDGYLCVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-21-12-4-8(7-20)9(5-10(12)15)11-6-19-3-2-13(16)18-14(19)17-11/h2-6,20H,7H2,1H3,(H2,16,17,18).
What are the key properties of [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol?
[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 304.74 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).