2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine

C13H17N5 — CID 80944185

IUPAC2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCc1cnc(NN)nc1NCCc1ccccc1
InChIInChI=1S/C13H17N5/c1-10-9-16-13(18-14)17-12(10)15-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyULIAUYYYOCOMER-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds5

About 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine

2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 80944185) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID80944185
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCc1cnc(NN)nc1NCCc1ccccc1
InChIInChI=1S/C13H17N5/c1-10-9-16-13(18-14)17-12(10)15-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyULIAUYYYOCOMER-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80942779
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80932366
2-hydrazinyl-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106412476
2-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943748
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine (CID 80944185) is 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine is Cc1cnc(NN)nc1NCCc1ccccc1.
What is the InChIKey of 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is ULIAUYYYOCOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-9-16-13(18-14)17-12(10)15-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine?
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80944185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).