4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride

C15H20ClN3O — CID 18590620

IUPAC4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-10(2)19-14-7-5-13(6-8-14)18-15-16-11(3)9-12(4)17-15;/h5-10H,1-4H3,(H,16,17,18);1H
InChIKeyLOTGORXAZAPZFP-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.05
Rot. Bonds4

About 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride

4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride (PubChem CID 18590620) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
PubChem CID18590620
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-10(2)19-14-7-5-13(6-8-14)18-15-16-11(3)9-12(4)17-15;/h5-10H,1-4H3,(H,16,17,18);1H
InChIKeyLOTGORXAZAPZFP-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
4-[[6-methyl-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194360
4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
4-N-(1,3-benzodioxol-5-yl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931121
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112921346
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108765937
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112915397
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride (CID 18590620) is 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride is Cc1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
The InChIKey is LOTGORXAZAPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-10(2)19-14-7-5-13(6-8-14)18-15-16-11(3)9-12(4)17-15;/h5-10H,1-4H3,(H,16,17,18);1H.
What are the key properties of 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 18590620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).