4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H17F3N4 — CID 106771813

IUPAC4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-16-9-6-10(18-11(17-9)12(13,14)15)19(2)7-8-4-3-5-8/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyMXBKCUHPGJCCFV-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.77
Rot. Bonds4

About 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771813) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771813
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-16-9-6-10(18-11(17-9)12(13,14)15)19(2)7-8-4-3-5-8/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyMXBKCUHPGJCCFV-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770982
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107403230
4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770835
4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771884
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833627
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771813) is 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(N(C)CC2CCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is MXBKCUHPGJCCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-16-9-6-10(18-11(17-9)12(13,14)15)19(2)7-8-4-3-5-8/h6,8H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).