4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C6H9F3N4 — CID 154168925

IUPAC4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCC1(N)N=C(N)NC=C1C(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-5(11)3(6(7,8)9)2-12-4(10)13-5/h2H,11H2,1H3,(H3,10,12,13)
InChIKeyCYCBICICEPWXQS-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.03
Rot. Bonds

About 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 154168925) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID154168925
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCC1(N)N=C(N)NC=C1C(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-5(11)3(6(7,8)9)2-12-4(10)13-5/h2H,11H2,1H3,(H3,10,12,13)
InChIKeyCYCBICICEPWXQS-UHFFFAOYSA-N
XLogP0.03
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151706077
4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154281463
4-propan-2-yl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 176228474
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4,5-dimethyl-1H-pyrimidine-2,4-diamine
CID 154332826
4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine
CID 154455426
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride
CID 171648860

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 154168925) is 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is CC1(N)N=C(N)NC=C1C(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is CYCBICICEPWXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-5(11)3(6(7,8)9)2-12-4(10)13-5/h2H,11H2,1H3,(H3,10,12,13).
What are the key properties of 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 194.16 g/mol, XLogP of 0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154168925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).