N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine

C15H19N3O — CID 62499474

IUPACN,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc(C)cc(NC)n2)c1
InChIInChI=1S/C15H19N3O/c1-4-8-19-13-7-5-6-12(10-13)15-17-11(2)9-14(16-3)18-15/h5-7,9-10H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyVARSRHBSTBCQPY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.28
Rot. Bonds5

About N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine

N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine (PubChem CID 62499474) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
PubChem CID62499474
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc(C)cc(NC)n2)c1
InChIInChI=1S/C15H19N3O/c1-4-8-19-13-7-5-6-12(10-13)15-17-11(2)9-14(16-3)18-15/h5-7,9-10H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyVARSRHBSTBCQPY-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-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
[6-cyclopropyl-2-(3-propoxyphenyl)pyrimidin-4-yl]hydrazine
CID 63354426
N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193532
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
ethyl 3-(3-propoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381918
3-methyl-5-(3-propoxyphenyl)pyridine
CID 143608383
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine (CID 62499474) is N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine is CCCOc1cccc(-c2nc(C)cc(NC)n2)c1.
What is the InChIKey of N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is VARSRHBSTBCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-8-19-13-7-5-6-12(10-13)15-17-11(2)9-14(16-3)18-15/h5-7,9-10H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine?
N,6-dimethyl-2-(3-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-(3-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62499474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).