2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride

C13H15Cl2N3O — CID 154906050

IUPAC2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride
SMILESCC(C)Oc1ccc(Cl)cc1-c1nccc(N)n1.Cl
InChIInChI=1S/C13H14ClN3O.ClH/c1-8(2)18-11-4-3-9(14)7-10(11)13-16-6-5-12(15)17-13;/h3-8H,1-2H3,(H2,15,16,17);1H
InChIKeyJHLCUMSWHLYWGC-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.59
Rot. Bonds3

About 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride

2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride (PubChem CID 154906050) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride
PubChem CID154906050
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride
SMILESCC(C)Oc1ccc(Cl)cc1-c1nccc(N)n1.Cl
InChIInChI=1S/C13H14ClN3O.ClH/c1-8(2)18-11-4-3-9(14)7-10(11)13-16-6-5-12(15)17-13;/h3-8H,1-2H3,(H2,15,16,17);1H
InChIKeyJHLCUMSWHLYWGC-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 82303522
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 136638285
6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39771078
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
(1R)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450963
(1S)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450964
2-amino-2-(5-chloro-2-propan-2-yloxyphenyl)acetaldehyde;hydrochloride
CID 87888258

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride (CID 154906050) is 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride is CC(C)Oc1ccc(Cl)cc1-c1nccc(N)n1.Cl.
What is the InChIKey of 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is JHLCUMSWHLYWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.ClH/c1-8(2)18-11-4-3-9(14)7-10(11)13-16-6-5-12(15)17-13;/h3-8H,1-2H3,(H2,15,16,17);1H.
What are the key properties of 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride?
2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 300.19 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 154906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).