N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

C16H26ClN3 — CID 80973601

IUPACN,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCCCCN(CCCC)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C16H26ClN3/c1-4-6-10-20(11-7-5-2)16-12(3)14(17)18-15(19-16)13-8-9-13/h13H,4-11H2,1-3H3
InChIKeyLIHPYMJQNCIYIQ-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.72
Rot. Bonds8

About N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80973601) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80973601
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCCCCN(CCCC)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C16H26ClN3/c1-4-6-10-20(11-7-5-2)16-12(3)14(17)18-15(19-16)13-8-9-13/h13H,4-11H2,1-3H3
InChIKeyLIHPYMJQNCIYIQ-UHFFFAOYSA-N
XLogP4.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
CID 80971414
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584
N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80973741
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80973034
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80972496
6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80970762
N-butyl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80948383
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917456
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80980363

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80973601) is N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is CCCCN(CCCC)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is LIHPYMJQNCIYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-6-10-20(11-7-5-2)16-12(3)14(17)18-15(19-16)13-8-9-13/h13H,4-11H2,1-3H3.
What are the key properties of N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80973601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).