2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine

C14H15F2N5 — CID 80968458

IUPAC2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCc2cc(F)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C14H15F2N5/c15-10-3-4-11(16)9(5-10)7-18-12-6-13(21-17)20-14(19-12)8-1-2-8/h3-6,8H,1-2,7,17H2,(H2,18,19,20,21)
InChIKeyGINWPRRIXHPKII-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.53
Rot. Bonds5

About 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine

2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80968458) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80968458
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCc2cc(F)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C14H15F2N5/c15-10-3-4-11(16)9(5-10)7-18-12-6-13(21-17)20-14(19-12)8-1-2-8/h3-6,8H,1-2,7,17H2,(H2,18,19,20,21)
InChIKeyGINWPRRIXHPKII-UHFFFAOYSA-N
XLogP2.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.53
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-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980397
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 80969109
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
2-cyclopropyl-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 80964280
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097
2-cyclopropyl-6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80964171
2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80969118
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine (CID 80968458) is 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine is NNc1cc(NCc2cc(F)ccc2F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is GINWPRRIXHPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c15-10-3-4-11(16)9(5-10)7-18-12-6-13(21-17)20-14(19-12)8-1-2-8/h3-6,8H,1-2,7,17H2,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80968458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).