2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C9H7ClF3N5 — CID 156636551

IUPAC2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cc(Nc2nc(Cl)ncc2C(F)(F)F)cn1
InChIInChI=1S/C9H7ClF3N5/c1-18-4-5(2-15-18)16-7-6(9(11,12)13)3-14-8(10)17-7/h2-4H,1H3,(H,14,16,17)
InChIKeyPAMQVKKXWCRZMF-UHFFFAOYSA-N
MW277.64 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 156636551) has the molecular formula C9H7ClF3N5 and a molecular weight of 277.64 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID156636551
Molecular FormulaC9H7ClF3N5
Molecular Weight277.64 g/mol
Exact Mass277.03
IUPAC Name2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cc(Nc2nc(Cl)ncc2C(F)(F)F)cn1
InChIInChI=1S/C9H7ClF3N5/c1-18-4-5(2-15-18)16-7-6(9(11,12)13)3-14-8(10)17-7/h2-4H,1H3,(H,14,16,17)
InChIKeyPAMQVKKXWCRZMF-UHFFFAOYSA-N
XLogP2.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 156636551) is 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine is Cn1cc(Nc2nc(Cl)ncc2C(F)(F)F)cn1.
What is the InChIKey of 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PAMQVKKXWCRZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N5/c1-18-4-5(2-15-18)16-7-6(9(11,12)13)3-14-8(10)17-7/h2-4H,1H3,(H,14,16,17).
What are the key properties of 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.64 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 156636551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).