[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol

C12H13ClN4O2 — CID 11587245

IUPAC[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol
SMILESNc1c(Cl)ncnc1Nc1cc(CO)cc(CO)c1
InChIInChI=1S/C12H13ClN4O2/c13-11-10(14)12(16-6-15-11)17-9-2-7(4-18)1-8(3-9)5-19/h1-3,6,18-19H,4-5,14H2,(H,15,16,17)
InChIKeySFBQGLURECKNQV-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.44
Rot. Bonds4

About [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol

[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol (PubChem CID 11587245) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol
PubChem CID11587245
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol
SMILESNc1c(Cl)ncnc1Nc1cc(CO)cc(CO)c1
InChIInChI=1S/C12H13ClN4O2/c13-11-10(14)12(16-6-15-11)17-9-2-7(4-18)1-8(3-9)5-19/h1-3,6,18-19H,4-5,14H2,(H,15,16,17)
InChIKeySFBQGLURECKNQV-UHFFFAOYSA-N
XLogP1.44
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
CID 86022400
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
6-chloro-4-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-4,5-diamine
CID 115564038
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
6-chloro-4-N-(4-methylsulfonylphenyl)pyrimidine-4,5-diamine
CID 55144269
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149

Frequently Asked Questions

What is the IUPAC name of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol (CID 11587245) is [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol is Nc1c(Cl)ncnc1Nc1cc(CO)cc(CO)c1.
What is the InChIKey of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol?
The InChIKey is SFBQGLURECKNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-11-10(14)12(16-6-15-11)17-9-2-7(4-18)1-8(3-9)5-19/h1-3,6,18-19H,4-5,14H2,(H,15,16,17).
What are the key properties of [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol?
[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol has a molecular weight of 280.71 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 11587245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).