N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C14H18ClN5 — CID 80968585

IUPACN-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C14H18ClN5/c1-8(2)14-18-12(7-13(19-14)20-16)17-11-6-10(15)5-4-9(11)3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyCTMIBGSERKKEQA-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.59
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80968585) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80968585
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C14H18ClN5/c1-8(2)14-18-12(7-13(19-14)20-16)17-11-6-10(15)5-4-9(11)3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyCTMIBGSERKKEQA-UHFFFAOYSA-N
XLogP3.59
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.59
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-(5-chloro-2-methylphenyl)-6-hydrazinylpyridin-2-amine
CID 80916740
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969189
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107639116
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
4-N-(5-chloro-2-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769943

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 80968585) is N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is Cc1ccc(Cl)cc1Nc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CTMIBGSERKKEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-8(2)14-18-12(7-13(19-14)20-16)17-11-6-10(15)5-4-9(11)3/h4-8H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80968585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).