2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine

C8H10ClF3N4 — CID 139437443

IUPAC2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(N[C@@H](C)C(F)(F)F)c1N
InChIInChI=1S/C8H10ClF3N4/c1-3-5(13)6(16-7(9)14-3)15-4(2)8(10,11)12/h4H,13H2,1-2H3,(H,14,15,16)/t4-/m0/s1
InChIKeyGNHQVJYTHXRVRT-BYPYZUCNSA-N
MW254.64 g/mol
LogP2.38
Rot. Bonds2

About 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine (PubChem CID 139437443) has the molecular formula C8H10ClF3N4 and a molecular weight of 254.64 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
PubChem CID139437443
Molecular FormulaC8H10ClF3N4
Molecular Weight254.64 g/mol
Exact Mass254.05
IUPAC Name2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(N[C@@H](C)C(F)(F)F)c1N
InChIInChI=1S/C8H10ClF3N4/c1-3-5(13)6(16-7(9)14-3)15-4(2)8(10,11)12/h4H,13H2,1-2H3,(H,14,15,16)/t4-/m0/s1
InChIKeyGNHQVJYTHXRVRT-BYPYZUCNSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-butyl-5-iodo-6-methylpyrimidine-2,4-diamine
CID 134106001
2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
CID 7147190
5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 21467953
N'-(2-chloro-6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 57839960
4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine
CID 135271004
4-N-butyl-5-fluoro-6-methylpyrimidine-2,4-diamine
CID 135271009
2-Chloro-4,5-diamino-6-methylpyrimidine
CID 275295
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031
4-(difluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720436
2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
CID 245274
N4,6-Dimethyl-4,5-pyrimidinediamine
CID 12212194
N5,6-dimethylpyrimidine-4,5-diamine
CID 45080466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine (CID 139437443) is 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine is Cc1nc(Cl)nc(N[C@@H](C)C(F)(F)F)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine?
The InChIKey is GNHQVJYTHXRVRT-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10ClF3N4/c1-3-5(13)6(16-7(9)14-3)15-4(2)8(10,11)12/h4H,13H2,1-2H3,(H,14,15,16)/t4-/m0/s1.
What are the key properties of 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine has a molecular weight of 254.64 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 139437443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).