2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

C12H15N5O — CID 80919406

IUPAC2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(NN)n2)c(C)c1
InChIInChI=1S/C12H15N5O/c1-8-7-9(18-2)3-4-10(8)15-11-5-6-14-12(16-11)17-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDVQNIDBDOZVRAY-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.82
Rot. Bonds4

About 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (PubChem CID 80919406) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
PubChem CID80919406
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(NN)n2)c(C)c1
InChIInChI=1S/C12H15N5O/c1-8-7-9(18-2)3-4-10(8)15-11-5-6-14-12(16-11)17-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDVQNIDBDOZVRAY-UHFFFAOYSA-N
XLogP1.82
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927503
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
2-cyclopropyl-6-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80964846
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (CID 80919406) is 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is COc1ccc(Nc2ccnc(NN)n2)c(C)c1.
What is the InChIKey of 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is DVQNIDBDOZVRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-7-9(18-2)3-4-10(8)15-11-5-6-14-12(16-11)17-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80919406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).