2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol

C14H16ClN3O — CID 135978603

IUPAC2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1cc(C)nc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-3-6-16-13-7-9(2)17-14(18-13)10-4-5-12(19)11(15)8-10/h4-5,7-8,19H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyYQRPLPPYKGGMHG-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol

2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol (PubChem CID 135978603) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
PubChem CID135978603
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1cc(C)nc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-3-6-16-13-7-9(2)17-14(18-13)10-4-5-12(19)11(15)8-10/h4-5,7-8,19H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyYQRPLPPYKGGMHG-UHFFFAOYSA-N
XLogP3.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 81442424
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202057
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 106818371
6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190181
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol (CID 135978603) is 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol is CCCNc1cc(C)nc(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol?
The InChIKey is YQRPLPPYKGGMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-6-16-13-7-9(2)17-14(18-13)10-4-5-12(19)11(15)8-10/h4-5,7-8,19H,3,6H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol?
2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol has a molecular weight of 277.76 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 135978603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).