5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

C12H14ClN5O — CID 80918932

IUPAC5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(NN)ncc2Cl)c(C)c1
InChIInChI=1S/C12H14ClN5O/c1-7-5-8(19-2)3-4-10(7)16-11-9(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyPEKKNGZVHYUAQZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (PubChem CID 80918932) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
PubChem CID80918932
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(NN)ncc2Cl)c(C)c1
InChIInChI=1S/C12H14ClN5O/c1-7-5-8(19-2)3-4-10(7)16-11-9(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyPEKKNGZVHYUAQZ-UHFFFAOYSA-N
XLogP2.48
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.48
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

5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 67962528
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455
2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine
CID 170076502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (CID 80918932) is 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is COc1ccc(Nc2nc(NN)ncc2Cl)c(C)c1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is PEKKNGZVHYUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7-5-8(19-2)3-4-10(7)16-11-9(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 279.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80918932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).