2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine

C10H14ClF3N4 — CID 114043728

IUPAC2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C10H14ClF3N4/c1-5(2)18(4-10(12,13)14)8-7(15)6(3)16-9(11)17-8/h5H,4,15H2,1-3H3
InChIKeyJEFMJSGDCKBQMO-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine (PubChem CID 114043728) has the molecular formula C10H14ClF3N4 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
PubChem CID114043728
Molecular FormulaC10H14ClF3N4
Molecular Weight282.70 g/mol
Exact Mass282.09
IUPAC Name2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C10H14ClF3N4/c1-5(2)18(4-10(12,13)14)8-7(15)6(3)16-9(11)17-8/h5H,4,15H2,1-3H3
InChIKeyJEFMJSGDCKBQMO-UHFFFAOYSA-N
XLogP2.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 79072879
3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757440
2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114997059
4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
CID 114043716
2-chloro-6-methyl-4-N-(4,4,4-trifluorobutan-2-yl)pyrimidine-4,5-diamine
CID 114129617
4-(aminomethyl)-5,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006781
3-(chloromethyl)-4,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55009185
4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326605
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 55011012
4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 80508750
2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine
CID 114043517
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine (CID 114043728) is 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine is Cc1nc(Cl)nc(N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The InChIKey is JEFMJSGDCKBQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N4/c1-5(2)18(4-10(12,13)14)8-7(15)6(3)16-9(11)17-8/h5H,4,15H2,1-3H3.
What are the key properties of 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine has a molecular weight of 282.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114043728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).