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

C14H18ClN5O — CID 80901649

IUPACN-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1cc(OC)ccc1Cl
InChIInChI=1S/C14H18ClN5O/c1-3-4-10-13(17-8-18-14(10)20-16)19-12-7-9(21-2)5-6-11(12)15/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyQAULXGCRFYDEDP-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.12
Rot. Bonds6

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

N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80901649) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80901649
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1cc(OC)ccc1Cl
InChIInChI=1S/C14H18ClN5O/c1-3-4-10-13(17-8-18-14(10)20-16)19-12-7-9(21-2)5-6-11(12)15/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyQAULXGCRFYDEDP-UHFFFAOYSA-N
XLogP3.12
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.12
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-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81005929
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-propylpyrimidin-4-amine
CID 80900380
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
1-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761113

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80901649) is N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1Nc1cc(OC)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is QAULXGCRFYDEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-4-10-13(17-8-18-14(10)20-16)19-12-7-9(21-2)5-6-11(12)15/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 307.79 g/mol, XLogP of 3.12, 6 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)-6-hydrazinyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80901649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).