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

C15H19N3O — CID 62495443

IUPACN,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(-c2nc(C)cc(NC)n2)cc1
InChIInChI=1S/C15H19N3O/c1-4-9-19-13-7-5-12(6-8-13)15-17-11(2)10-14(16-3)18-15/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyHNCCYPHKOAPZCK-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.28
Rot. Bonds5

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

N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine (PubChem CID 62495443) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
PubChem CID62495443
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(-c2nc(C)cc(NC)n2)cc1
InChIInChI=1S/C15H19N3O/c1-4-9-19-13-7-5-12(6-8-13)15-17-11(2)10-14(16-3)18-15/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyHNCCYPHKOAPZCK-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 62499474
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
2-[(E)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-5-propoxyphenol
CID 135495747
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190799
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine (CID 62495443) is N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine is CCCOc1ccc(-c2nc(C)cc(NC)n2)cc1.
What is the InChIKey of N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is HNCCYPHKOAPZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-9-19-13-7-5-12(6-8-13)15-17-11(2)10-14(16-3)18-15/h5-8,10H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62495443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).