4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H17F3N4 — CID 106772050

IUPAC4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC1(CNc2cc(N)nc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C12H17F3N4/c1-11(4-2-3-5-11)7-17-9-6-8(16)18-10(19-9)12(13,14)15/h6H,2-5,7H2,1H3,(H3,16,17,18,19)
InChIKeySHFVRUXQTNEGOH-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.07
Rot. Bonds3

About 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772050) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772050
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC1(CNc2cc(N)nc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C12H17F3N4/c1-11(4-2-3-5-11)7-17-9-6-8(16)18-10(19-9)12(13,14)15/h6H,2-5,7H2,1H3,(H3,16,17,18,19)
InChIKeySHFVRUXQTNEGOH-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-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

1-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 106772295
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 78952257
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770425
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 55259668
4-N-(thiolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772556
N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 114102594

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772050) is 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC1(CNc2cc(N)nc(C(F)(F)F)n2)CCCC1.
What is the InChIKey of 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is SHFVRUXQTNEGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-11(4-2-3-5-11)7-17-9-6-8(16)18-10(19-9)12(13,14)15/h6H,2-5,7H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).