6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine

C14H20ClN3O — CID 80970762

IUPAC6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
SMILESCOCCN(c1nc(C2CC2)nc(Cl)c1C)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-9-12(15)16-13(10-3-4-10)17-14(9)18(7-8-19-2)11-5-6-11/h10-11H,3-8H2,1-2H3
InChIKeyWVXOEPMVNQVVAL-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.93
Rot. Bonds6

About 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine

6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine (PubChem CID 80970762) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
PubChem CID80970762
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
SMILESCOCCN(c1nc(C2CC2)nc(Cl)c1C)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-9-12(15)16-13(10-3-4-10)17-14(9)18(7-8-19-2)11-5-6-11/h10-11H,3-8H2,1-2H3
InChIKeyWVXOEPMVNQVVAL-UHFFFAOYSA-N
XLogP2.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80980363
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80973601
4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
CID 103177522
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80973034
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80972496
2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80983019
6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80972239
2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
[2-[cyclopropyl(2-methoxyethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 54946432
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine (CID 80970762) is 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine is COCCN(c1nc(C2CC2)nc(Cl)c1C)C1CC1.
What is the InChIKey of 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
The InChIKey is WVXOEPMVNQVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-12(15)16-13(10-3-4-10)17-14(9)18(7-8-19-2)11-5-6-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine has a molecular weight of 281.79 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).