4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H11F3IN5 — CID 114566114

IUPAC4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-n2cc(I)cn2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3IN5/c1-2-3-16-10-18-8(11(12,13)14)4-9(19-10)20-6-7(15)5-17-20/h4-6H,2-3H2,1H3,(H,16,18,19)
InChIKeyKYXMIBKOFNYOEV-UHFFFAOYSA-N
MW397.14 g/mol
LogP3.11
Rot. Bonds4

About 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566114) has the molecular formula C11H11F3IN5 and a molecular weight of 397.14 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566114
Molecular FormulaC11H11F3IN5
Molecular Weight397.14 g/mol
Exact Mass397.00
IUPAC Name4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-n2cc(I)cn2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3IN5/c1-2-3-16-10-18-8(11(12,13)14)4-9(19-10)20-6-7(15)5-17-20/h4-6H,2-3H2,1H3,(H,16,18,19)
InChIKeyKYXMIBKOFNYOEV-UHFFFAOYSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562968
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
CID 80868903
N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566044
[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567659
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565002
4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80868653
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756
2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716271
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566114) is 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(-n2cc(I)cn2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KYXMIBKOFNYOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3IN5/c1-2-3-16-10-18-8(11(12,13)14)4-9(19-10)20-6-7(15)5-17-20/h4-6H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 397.14 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).