2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol

C10H10ClN3O — CID 144841167

IUPAC2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol
SMILESOc1cnc(Cl)nc1NC1=CC=CCC1
InChIInChI=1S/C10H10ClN3O/c11-10-12-6-8(15)9(14-10)13-7-4-2-1-3-5-7/h1-2,4,6,15H,3,5H2,(H,12,13,14)
InChIKeyCWKPLCHUKZOTJE-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.48
Rot. Bonds2

About 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol

2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol (PubChem CID 144841167) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol.

Molecular Properties

Compound Name2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol
PubChem CID144841167
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol
SMILESOc1cnc(Cl)nc1NC1=CC=CCC1
InChIInChI=1S/C10H10ClN3O/c11-10-12-6-8(15)9(14-10)13-7-4-2-1-3-5-7/h1-2,4,6,15H,3,5H2,(H,12,13,14)
InChIKeyCWKPLCHUKZOTJE-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine
CID 143899900
1-cyclohexa-1,3-dien-1-yl-3-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)urea
CID 130245583
4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,5-dimethylphenol
CID 22060614
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
methyl (1R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylate
CID 88589843
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol?
The IUPAC name of 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol (CID 144841167) is 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol.
What is the SMILES notation for 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol?
The canonical SMILES for 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol is Oc1cnc(Cl)nc1NC1=CC=CCC1.
What is the InChIKey of 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol?
The InChIKey is CWKPLCHUKZOTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-10-12-6-8(15)9(14-10)13-7-4-2-1-3-5-7/h1-2,4,6,15H,3,5H2,(H,12,13,14).
What are the key properties of 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol?
2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol has a molecular weight of 223.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol is sourced from PubChem (CID 144841167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).