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

C15H20ClN3O — CID 20997997

IUPAC4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
SMILESCCCOc1ccc(Nc2nc(C)cc(C)n2)cc1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-4-9-19-14-7-5-13(6-8-14)18-15-16-11(2)10-12(3)17-15;/h5-8,10H,4,9H2,1-3H3,(H,16,17,18);1H
InChIKeyRGRHMBVOWBWEIB-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.05
Rot. Bonds5

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

4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride (PubChem CID 20997997) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
PubChem CID20997997
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
SMILESCCCOc1ccc(Nc2nc(C)cc(C)n2)cc1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-4-9-19-14-7-5-13(6-8-14)18-15-16-11(2)10-12(3)17-15;/h5-8,10H,4,9H2,1-3H3,(H,16,17,18);1H
InChIKeyRGRHMBVOWBWEIB-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine
CID 112634854
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
6-methoxy-4-N-methyl-2-N-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80799796
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
N-[4-(2-aminoethyl)phenyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973945
2-N-(3-undecoxyphenyl)-4-N,6-N-bis(4-undecoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 58789715
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzamide
CID 27621694
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride (CID 20997997) is 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride is CCCOc1ccc(Nc2nc(C)cc(C)n2)cc1.Cl.
What is the InChIKey of 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride?
The InChIKey is RGRHMBVOWBWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-4-9-19-14-7-5-13(6-8-14)18-15-16-11(2)10-12(3)17-15;/h5-8,10H,4,9H2,1-3H3,(H,16,17,18);1H.
What are the key properties of 4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride?
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 4.05, 5 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-propoxyphenyl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 20997997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).