N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine

C14H18ClN5O — CID 81005929

IUPACN-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-4-12-18-13(8(2)14(19-12)20-16)17-11-7-9(21-3)5-6-10(11)15/h5-7H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyJTSJACIGYUCNCN-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.04
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 81005929) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID81005929
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-4-12-18-13(8(2)14(19-12)20-16)17-11-7-9(21-3)5-6-10(11)15/h5-7H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyJTSJACIGYUCNCN-UHFFFAOYSA-N
XLogP3.04
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.04
H-Bond Donors ≤ 53
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

N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
2-ethyl-6-hydrazinyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 81006724
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
CID 81007542
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973855
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001306
4-N-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 81005929) is N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCc1nc(NN)c(C)c(Nc2cc(OC)ccc2Cl)n1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is JTSJACIGYUCNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-12-18-13(8(2)14(19-12)20-16)17-11-7-9(21-3)5-6-10(11)15/h5-7H,4,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 307.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81005929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).