6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C16H23N5 — CID 80912556

IUPAC6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc(NN)c2C(C)C)cc1
InChIInChI=1S/C16H23N5/c1-10(2)12-5-7-13(8-6-12)20-15-14(11(3)4)16(21-17)19-9-18-15/h5-11H,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyHRUMJCDJBWCCCS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.75
Rot. Bonds5

About 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 80912556) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID80912556
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc(NN)c2C(C)C)cc1
InChIInChI=1S/C16H23N5/c1-10(2)12-5-7-13(8-6-12)20-15-14(11(3)4)16(21-17)19-9-18-15/h5-11H,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyHRUMJCDJBWCCCS-UHFFFAOYSA-N
XLogP3.75
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.75
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

N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80906889
6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 80901261
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
(4-propan-2-ylphenyl)hydrazine
CID 2733249
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80921013
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 80912556) is 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccc(Nc2ncnc(NN)c2C(C)C)cc1.
What is the InChIKey of 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is HRUMJCDJBWCCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10(2)12-5-7-13(8-6-12)20-15-14(11(3)4)16(21-17)19-9-18-15/h5-11H,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80912556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).