6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

C12H16N6 — CID 19145712

IUPAC6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCC(Nc1ncnc(NN)c1N)c1ccccc1
InChIInChI=1S/C12H16N6/c1-8(9-5-3-2-4-6-9)17-11-10(13)12(18-14)16-7-15-11/h2-8H,13-14H2,1H3,(H2,15,16,17,18)
InChIKeyKWDFIDDSPSSXIL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.52
Rot. Bonds4

About 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 19145712) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
PubChem CID19145712
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCC(Nc1ncnc(NN)c1N)c1ccccc1
InChIInChI=1S/C12H16N6/c1-8(9-5-3-2-4-6-9)17-11-10(13)12(18-14)16-7-15-11/h2-8H,13-14H2,1H3,(H2,15,16,17,18)
InChIKeyKWDFIDDSPSSXIL-UHFFFAOYSA-N
XLogP1.52
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.52
H-Bond Donors ≤ 54
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

6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine
CID 87198649
3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
CID 66699794
3-N-(1-phenylethyl)pyrazine-2,3-diamine
CID 66699795
6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145756

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (CID 19145712) is 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is CC(Nc1ncnc(NN)c1N)c1ccccc1.
What is the InChIKey of 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is KWDFIDDSPSSXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8(9-5-3-2-4-6-9)17-11-10(13)12(18-14)16-7-15-11/h2-8H,13-14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19145712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).