2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine

C13H14ClN3O — CID 82303522

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nccc(N)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8(2)18-11-4-3-9(7-10(11)14)13-16-6-5-12(15)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyWPBFZFIJEXOHCQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.17
Rot. Bonds3

About 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine

2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 82303522) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID82303522
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nccc(N)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8(2)18-11-4-3-9(7-10(11)14)13-16-6-5-12(15)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyWPBFZFIJEXOHCQ-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride
CID 154906050
N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293527
3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 59556697
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 68771112
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(2H-pyrrol-5-yl)-1,2,4-oxadiazole
CID 71094123
3-chloro-4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]aniline
CID 141302640
2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]propane-1,3-diol
CID 59556640
2-(3,4-dichlorophenyl)-4-methylpyrimidine
CID 21025841
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 82303522) is 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1ccc(-c2nccc(N)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is WPBFZFIJEXOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(2)18-11-4-3-9(7-10(11)14)13-16-6-5-12(15)17-13/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82303522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).