N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

C12H13F2N5 — CID 80904358

IUPACN-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H13F2N5/c1-7-17-11(5-12(18-7)19-15)16-6-8-2-3-9(13)10(14)4-8/h2-5H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyPEVFINMRBZKHOA-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.96
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80904358) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80904358
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H13F2N5/c1-7-17-11(5-12(18-7)19-15)16-6-8-2-3-9(13)10(14)4-8/h2-5H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyPEVFINMRBZKHOA-UHFFFAOYSA-N
XLogP1.96
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.96
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

4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80904358) is N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is PEVFINMRBZKHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c1-7-17-11(5-12(18-7)19-15)16-6-8-2-3-9(13)10(14)4-8/h2-5H,6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 265.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80904358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).