N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H16F3N5 — CID 114102594

IUPACN-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC1(CNc2cc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H16F3N5/c1-2-10(3-4-10)6-16-7-5-8(19-15)18-9(17-7)11(12,13)14/h5H,2-4,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyOAWDSPIAVJGJID-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.38
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114102594) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114102594
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC1(CNc2cc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H16F3N5/c1-2-10(3-4-10)6-16-7-5-8(19-15)18-9(17-7)11(12,13)14/h5H,2-4,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyOAWDSPIAVJGJID-UHFFFAOYSA-N
XLogP2.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 106776218
trans-(1R,3R)-3-[[6-[(4-ethyloxan-4-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 167827041
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775903
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106341116
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772050
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 114102594) is N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is CCC1(CNc2cc(NN)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OAWDSPIAVJGJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-2-10(3-4-10)6-16-7-5-8(19-15)18-9(17-7)11(12,13)14/h5H,2-4,6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 275.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114102594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).