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

C12H13F2N5 — CID 94672852

IUPACN-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine
SMILESCc1cc(NN)nc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C12H13F2N5/c1-7-4-11(19-15)18-12(17-7)16-6-8-2-3-9(13)5-10(8)14/h2-5H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyRYRMTBBQHREECU-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.96
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine (PubChem CID 94672852) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine
PubChem CID94672852
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine
SMILESCc1cc(NN)nc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C12H13F2N5/c1-7-4-11(19-15)18-12(17-7)16-6-8-2-3-9(13)5-10(8)14/h2-5H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyRYRMTBBQHREECU-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-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818999
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596
2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 112746178
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112917401
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917338
2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80821596
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine (CID 94672852) is N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine is Cc1cc(NN)nc(NCc2ccc(F)cc2F)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine?
The InChIKey is RYRMTBBQHREECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c1-7-4-11(19-15)18-12(17-7)16-6-8-2-3-9(13)5-10(8)14/h2-5H,6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine?
N-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-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-[(2,4-difluorophenyl)methyl]-4-hydrazinyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 94672852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).