N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane

C15H21N3O2 — CID 145306239

IUPACN-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
SMILESCC.COc1ccc(CNc2ccncn2)c(OC)c1
InChIInChI=1S/C13H15N3O2.C2H6/c1-17-11-4-3-10(12(7-11)18-2)8-15-13-5-6-14-9-16-13;1-2/h3-7,9H,8H2,1-2H3,(H,14,15,16);1-2H3
InChIKeyVYLWYPOKMUHBHA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.13
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane (PubChem CID 145306239) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
PubChem CID145306239
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
SMILESCC.COc1ccc(CNc2ccncn2)c(OC)c1
InChIInChI=1S/C13H15N3O2.C2H6/c1-17-11-4-3-10(12(7-11)18-2)8-15-13-5-6-14-9-16-13;1-2/h3-7,9H,8H2,1-2H3,(H,14,15,16);1-2H3
InChIKeyVYLWYPOKMUHBHA-UHFFFAOYSA-N
XLogP3.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
CID 66652908

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane (CID 145306239) is N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane is CC.COc1ccc(CNc2ccncn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane?
The InChIKey is VYLWYPOKMUHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C2H6/c1-17-11-4-3-10(12(7-11)18-2)8-15-13-5-6-14-9-16-13;1-2/h3-7,9H,8H2,1-2H3,(H,14,15,16);1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane?
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane has a molecular weight of 275.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane is sourced from PubChem (CID 145306239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).