6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H17F3N6O — CID 131984442

IUPAC6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cnn(C3CCOC3)c2C)nc(N)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-7-11(14(15,16)17)12(18)22-13(20-7)21-10-5-19-23(8(10)2)9-3-4-24-6-9/h5,9H,3-4,6H2,1-2H3,(H3,18,20,21,22)
InChIKeyLLNQMKAWSDSURT-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.60
Rot. Bonds3

About 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984442) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984442
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cnn(C3CCOC3)c2C)nc(N)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-7-11(14(15,16)17)12(18)22-13(20-7)21-10-5-19-23(8(10)2)9-3-4-24-6-9/h5,9H,3-4,6H2,1-2H3,(H3,18,20,21,22)
InChIKeyLLNQMKAWSDSURT-UHFFFAOYSA-N
XLogP2.60
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-N-[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 131984468
2-[[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 175129143
6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 131984360
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
CID 166296665
5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
CID 63558947
2-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 145419887
4-N-methyl-2-N-[3-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092000
N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine
CID 154763580
4-methyl-1-(oxolan-3-yl)-5-propan-2-ylpyrazole
CID 174248923

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984442) is 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(Nc2cnn(C3CCOC3)c2C)nc(N)c1C(F)(F)F.
What is the InChIKey of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LLNQMKAWSDSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-7-11(14(15,16)17)12(18)22-13(20-7)21-10-5-19-23(8(10)2)9-3-4-24-6-9/h5,9H,3-4,6H2,1-2H3,(H3,18,20,21,22).
What are the key properties of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 342.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).