6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H13ClF3N3 — CID 63730357

IUPAC6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1ncnc(Cl)c1C
InChIInChI=1S/C10H13ClF3N3/c1-3-4-17(5-10(12,13)14)9-7(2)8(11)15-6-16-9/h6H,3-5H2,1-2H3
InChIKeyDZJUORMKGRULNB-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.22
Rot. Bonds4

About 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63730357) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63730357
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1ncnc(Cl)c1C
InChIInChI=1S/C10H13ClF3N3/c1-3-4-17(5-10(12,13)14)9-7(2)8(11)15-6-16-9/h6H,3-5H2,1-2H3
InChIKeyDZJUORMKGRULNB-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-5-methylpyrimidine
CID 818860
6-Chloro-5-methylpyrimidin-4-amine
CID 21934626
4,6-Dichloro-5-(difluoromethyl)pyrimidine
CID 75176228
5-chloro-4-N-[3-(diethylamino)propyl]-4-N-methylpyrimidine-4,6-diamine
CID 100648603
Pyrimidine, 4-chloro-2-(1-piperidinyl)-5-(trifluoromethyl)-
CID 21923100
2-Chloro-4-dimethylamino-5-trifluoromethylpyrimidine
CID 23027742
4-Chloro-5-(trifluoromethyl)pyrimidine
CID 54052695
4-Chloro-6-((2,2,2-trifluoroethyl)amino)pyrimidine-5-carbonitrile
CID 57559670
4-Chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 59341121
6-chloro-4-[N-methyl-N-(2,2,2-trifluoroethyl)amino]pyrimidine
CID 61277353
6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 70489446
4-Chloro-2-methyl-5-(trifluoromethyl)pyrimidine
CID 75132223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63730357) is 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCN(CC(F)(F)F)c1ncnc(Cl)c1C.
What is the InChIKey of 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is DZJUORMKGRULNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-3-4-17(5-10(12,13)14)9-7(2)8(11)15-6-16-9/h6H,3-5H2,1-2H3.
What are the key properties of 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 267.68 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63730357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).