2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C9H7ClF3N5 — CID 58255169

IUPAC2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)ncc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H7ClF3N5/c1-4-2-6(18-17-4)15-7-5(9(11,12)13)3-14-8(10)16-7/h2-3H,1H3,(H2,14,15,16,17,18)
InChIKeyZONRNCXIKHMFGI-UHFFFAOYSA-N
MW277.64 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 58255169) has the molecular formula C9H7ClF3N5 and a molecular weight of 277.64 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID58255169
Molecular FormulaC9H7ClF3N5
Molecular Weight277.64 g/mol
Exact Mass277.03
IUPAC Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)ncc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H7ClF3N5/c1-4-2-6(18-17-4)15-7-5(9(11,12)13)3-14-8(10)16-7/h2-3H,1H3,(H2,14,15,16,17,18)
InChIKeyZONRNCXIKHMFGI-UHFFFAOYSA-N
XLogP2.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.64
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-1480
CID 16659841
N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659680
5-Fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659836
5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 46861588
5-chloro-2-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 53324514
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 60154284
US9932325, Example 109
CID 69093358
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825
US9932325, Example 133
CID 132244705
3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43420019
2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine
CID 58076158
2-N-butyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166626399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 58255169) is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(Nc2nc(Cl)ncc2C(F)(F)F)n[nH]1.
What is the InChIKey of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZONRNCXIKHMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N5/c1-4-2-6(18-17-4)15-7-5(9(11,12)13)3-14-8(10)16-7/h2-3H,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.64 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 58255169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).