N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine

C13H17N5 — CID 106901045

IUPACN-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCCc1ccc(CNc2ccnc(NN)n2)cc1
InChIInChI=1S/C13H17N5/c1-2-10-3-5-11(6-4-10)9-16-12-7-8-15-13(17-12)18-14/h3-8H,2,9,14H2,1H3,(H2,15,16,17,18)
InChIKeyTYDYLIVXUQNTRX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.94
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine

N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 106901045) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID106901045
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCCc1ccc(CNc2ccnc(NN)n2)cc1
InChIInChI=1S/C13H17N5/c1-2-10-3-5-11(6-4-10)9-16-12-7-8-15-13(17-12)18-14/h3-8H,2,9,14H2,1H3,(H2,15,16,17,18)
InChIKeyTYDYLIVXUQNTRX-UHFFFAOYSA-N
XLogP1.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.94
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-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridin-4-amine
CID 106901053
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
2-N-tert-butyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891399
2-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112883014

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 106901045) is N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine is CCc1ccc(CNc2ccnc(NN)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is TYDYLIVXUQNTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-10-3-5-11(6-4-10)9-16-12-7-8-15-13(17-12)18-14/h3-8H,2,9,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 106901045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).