2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine

C12H15N5O — CID 91071139

IUPAC2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNNOc2ccccc2)c(N)n1
InChIInChI=1S/C12H15N5O/c1-9-14-7-10(12(13)16-9)8-15-17-18-11-5-3-2-4-6-11/h2-7,15,17H,8H2,1H3,(H2,13,14,16)
InChIKeyQBLKBRFJCJWPFR-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.96
Rot. Bonds5

About 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine

2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine (PubChem CID 91071139) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine
PubChem CID91071139
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNNOc2ccccc2)c(N)n1
InChIInChI=1S/C12H15N5O/c1-9-14-7-10(12(13)16-9)8-15-17-18-11-5-3-2-4-6-11/h2-7,15,17H,8H2,1H3,(H2,13,14,16)
InChIKeyQBLKBRFJCJWPFR-UHFFFAOYSA-N
XLogP0.96
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine
CID 139913956
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 138036903
5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
CID 121015810
2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
CID 155568861
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
2-(4-amino-2-methylpyrimidin-5-yl)ethanol
CID 129317411
trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
CID 173304149
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl benzoate
CID 155532388
5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
CID 159577118
2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrimidin-4-amine
CID 14404472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine (CID 91071139) is 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine is Cc1ncc(CNNOc2ccccc2)c(N)n1.
What is the InChIKey of 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine?
The InChIKey is QBLKBRFJCJWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-14-7-10(12(13)16-9)8-15-17-18-11-5-3-2-4-6-11/h2-7,15,17H,8H2,1H3,(H2,13,14,16).
What are the key properties of 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine?
2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-phenoxyhydrazinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91071139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).