[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride

C18H18ClN3O2S — CID 18794206

IUPAC[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride
SMILESCOc1cccc(Sc2ccnc(Nc3cccc(CO)c3)n2)c1.Cl
InChIInChI=1S/C18H17N3O2S.ClH/c1-23-15-6-3-7-16(11-15)24-17-8-9-19-18(21-17)20-14-5-2-4-13(10-14)12-22;/h2-11,22H,12H2,1H3,(H,19,20,21);1H
InChIKeyMQFQQJPMSVMANA-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.29
Rot. Bonds6

About [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride

[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride (PubChem CID 18794206) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride
PubChem CID18794206
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride
SMILESCOc1cccc(Sc2ccnc(Nc3cccc(CO)c3)n2)c1.Cl
InChIInChI=1S/C18H17N3O2S.ClH/c1-23-15-6-3-7-16(11-15)24-17-8-9-19-18(21-17)20-14-5-2-4-13(10-14)12-22;/h2-11,22H,12H2,1H3,(H,19,20,21);1H
InChIKeyMQFQQJPMSVMANA-UHFFFAOYSA-N
XLogP4.29
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyphenyl)sulfanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 18327482
2-cyano-N-[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]acetamide
CID 59491552
N-[4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 59491776
3-(3-methoxyanilino)-N-[4-[2-(3-methoxyanilino)pyrimidin-4-yl]sulfanylphenyl]propanamide
CID 59491439
N-[4-[2-(2,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-4-(3-methoxyphenyl)sulfanylpyrimidin-2-amine
CID 18327464
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol
CID 58467923
(3-methoxyphenyl)(113C)methanol
CID 11593446
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride?
The IUPAC name of [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride (CID 18794206) is [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride?
The canonical SMILES for [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride is COc1cccc(Sc2ccnc(Nc3cccc(CO)c3)n2)c1.Cl.
What is the InChIKey of [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride?
The InChIKey is MQFQQJPMSVMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S.ClH/c1-23-15-6-3-7-16(11-15)24-17-8-9-19-18(21-17)20-14-5-2-4-13(10-14)12-22;/h2-11,22H,12H2,1H3,(H,19,20,21);1H.
What are the key properties of [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride?
[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride is sourced from PubChem (CID 18794206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).