2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C9H7ClF3N5O — CID 114562494

IUPAC2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1noc(CNc2cc(C(F)(F)F)nc(Cl)n2)n1
InChIInChI=1S/C9H7ClF3N5O/c1-4-15-7(19-18-4)3-14-6-2-5(9(11,12)13)16-8(10)17-6/h2H,3H2,1H3,(H,14,16,17)
InChIKeyKFSCEQVVVSTTCT-UHFFFAOYSA-N
MW293.64 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562494) has the molecular formula C9H7ClF3N5O and a molecular weight of 293.64 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562494
Molecular FormulaC9H7ClF3N5O
Molecular Weight293.64 g/mol
Exact Mass293.03
IUPAC Name2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1noc(CNc2cc(C(F)(F)F)nc(Cl)n2)n1
InChIInChI=1S/C9H7ClF3N5O/c1-4-15-7(19-18-4)3-14-6-2-5(9(11,12)13)16-8(10)17-6/h2H,3H2,1H3,(H,14,16,17)
InChIKeyKFSCEQVVVSTTCT-UHFFFAOYSA-N
XLogP2.45
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562584
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 54903195
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
2-chloro-6-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 114562739
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114156673
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875484
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562494) is 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1noc(CNc2cc(C(F)(F)F)nc(Cl)n2)n1.
What is the InChIKey of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KFSCEQVVVSTTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N5O/c1-4-15-7(19-18-4)3-14-6-2-5(9(11,12)13)16-8(10)17-6/h2H,3H2,1H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.64 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).