N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine

C12H14ClN5O2 — CID 80926961

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(OC)c(Nc2ccnc(NN)n2)cc1Cl
InChIInChI=1S/C12H14ClN5O2/c1-19-9-6-10(20-2)8(5-7(9)13)16-11-3-4-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVRABAYZKHQZZHT-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.18
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine

N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80926961) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80926961
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(OC)c(Nc2ccnc(NN)n2)cc1Cl
InChIInChI=1S/C12H14ClN5O2/c1-19-9-6-10(20-2)8(5-7(9)13)16-11-3-4-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVRABAYZKHQZZHT-UHFFFAOYSA-N
XLogP2.18
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

4-N-tert-butyl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112899784
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903101
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889388
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905095
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112904304
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112883652
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112906745

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80926961) is N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine is COc1cc(OC)c(Nc2ccnc(NN)n2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is VRABAYZKHQZZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-19-9-6-10(20-2)8(5-7(9)13)16-11-3-4-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 295.73 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80926961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).