2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol

C14H14ClN3O — CID 162345468

IUPAC2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(C2CC2)nc(Nc2ccc(Cl)c(O)c2)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-12(9-2-3-9)18-14(16-8)17-10-4-5-11(15)13(19)7-10/h4-7,9,19H,2-3H2,1H3,(H,16,17,18)
InChIKeyRHYDMKQCRQAICX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol

2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol (PubChem CID 162345468) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol.

Molecular Properties

Compound Name2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
PubChem CID162345468
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(C2CC2)nc(Nc2ccc(Cl)c(O)c2)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-12(9-2-3-9)18-14(16-8)17-10-4-5-11(15)13(19)7-10/h4-7,9,19H,2-3H2,1H3,(H,16,17,18)
InChIKeyRHYDMKQCRQAICX-UHFFFAOYSA-N
XLogP3.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
CID 169441439
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
CID 67815515
N-[1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
CID 88528008
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
CID 88528006
2-N-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 53437451
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;(E)-non-2-enoic acid
CID 138505615
N-[(3S)-1-[2-(4-chloro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol?
The IUPAC name of 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol (CID 162345468) is 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol.
What is the SMILES notation for 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol?
The canonical SMILES for 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol is Cc1cc(C2CC2)nc(Nc2ccc(Cl)c(O)c2)n1.
What is the InChIKey of 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol?
The InChIKey is RHYDMKQCRQAICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-6-12(9-2-3-9)18-14(16-8)17-10-4-5-11(15)13(19)7-10/h4-7,9,19H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol?
2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol has a molecular weight of 275.74 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol is sourced from PubChem (CID 162345468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).