2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine

C14H18ClN5 — CID 80968809

IUPAC2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5/c1-14(2,3)13-18-11(8-12(19-13)20-16)17-10-6-4-5-9(15)7-10/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyPLMUJTUQEPNSNG-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.46
Rot. Bonds3

About 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80968809) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80968809
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5/c1-14(2,3)13-18-11(8-12(19-13)20-16)17-10-6-4-5-9(15)7-10/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyPLMUJTUQEPNSNG-UHFFFAOYSA-N
XLogP3.46
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.46
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

3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969498
N-(3-chlorophenyl)-6-hydrazinylpyridazin-3-amine
CID 59363292
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775922
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
2-tert-butyl-4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956206
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80968809) is 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PLMUJTUQEPNSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-14(2,3)13-18-11(8-12(19-13)20-16)17-10-6-4-5-9(15)7-10/h4-8H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80968809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).