N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N6 — CID 106775582

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NC2CCN(C3CC3)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N6/c13-12(14,15)11-18-9(5-10(19-11)20-16)17-7-3-4-21(6-7)8-1-2-8/h5,7-8H,1-4,6,16H2,(H2,17,18,19,20)
InChIKeySXHYDZVHJQMEEI-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.43
Rot. Bonds4

About N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775582) has the molecular formula C12H17F3N6 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775582
Molecular FormulaC12H17F3N6
Molecular Weight302.30 g/mol
Exact Mass302.15
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NC2CCN(C3CC3)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N6/c13-12(14,15)11-18-9(5-10(19-11)20-16)17-7-3-4-21(6-7)8-1-2-8/h5,7-8H,1-4,6,16H2,(H2,17,18,19,20)
InChIKeySXHYDZVHJQMEEI-UHFFFAOYSA-N
XLogP1.43
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074
6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718149
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
4-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157150
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
6-hydrazinyl-N-(2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775688
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954685
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80546981

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775582) is N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(NC2CCN(C3CC3)C2)nc(C(F)(F)F)n1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SXHYDZVHJQMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N6/c13-12(14,15)11-18-9(5-10(19-11)20-16)17-7-3-4-21(6-7)8-1-2-8/h5,7-8H,1-4,6,16H2,(H2,17,18,19,20).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).