2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine

C17H21N3O2 — CID 133304164

IUPAC2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(CN(C)c2ccnc(C3CC3)n2)c1
InChIInChI=1S/C17H21N3O2/c1-20(16-8-9-18-17(19-16)12-4-5-12)11-13-10-14(21-2)6-7-15(13)22-3/h6-10,12H,4-5,11H2,1-3H3
InChIKeyMHTAMMZJQSUQFJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds6

About 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine

2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 133304164) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID133304164
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(CN(C)c2ccnc(C3CC3)n2)c1
InChIInChI=1S/C17H21N3O2/c1-20(16-8-9-18-17(19-16)12-4-5-12)11-13-10-14(21-2)6-7-15(13)22-3/h6-10,12H,4-5,11H2,1-3H3
InChIKeyMHTAMMZJQSUQFJ-UHFFFAOYSA-N
XLogP3.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-N-methylpyrimidin-4-amine
CID 66911129
N-(cyclopentylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 133304236
N-[(2,5-dimethoxyphenyl)methyl]-N,3,6-trimethylpyrazin-2-amine
CID 133469077
3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 133370479
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297559
2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413055
N-[(2,4-dimethoxyphenyl)methyl]-N-methylquinolin-2-amine
CID 175769838
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine
CID 133298096
2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 139010596
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine (CID 133304164) is 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine is COc1ccc(OC)c(CN(C)c2ccnc(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is MHTAMMZJQSUQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(16-8-9-18-17(19-16)12-4-5-12)11-13-10-14(21-2)6-7-15(13)22-3/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133304164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).