4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine

C14H18ClN5O — CID 80912189

IUPAC4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1cc(NN)nc(N)n1
InChIInChI=1S/C14H18ClN5O/c1-7(2)9-5-11(8(3)4-10(9)15)21-13-6-12(20-17)18-14(16)19-13/h4-7H,17H2,1-3H3,(H3,16,18,19,20)
InChIKeyNFBFVLOIJNDZAV-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.22
Rot. Bonds4

About 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine

4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80912189) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID80912189
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1cc(NN)nc(N)n1
InChIInChI=1S/C14H18ClN5O/c1-7(2)9-5-11(8(3)4-10(9)15)21-13-6-12(20-17)18-14(16)19-13/h4-7H,17H2,1-3H3,(H3,16,18,19,20)
InChIKeyNFBFVLOIJNDZAV-UHFFFAOYSA-N
XLogP3.22
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.22
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

4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80874408
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine
CID 80875965
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine (CID 80912189) is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine is Cc1cc(Cl)c(C(C)C)cc1Oc1cc(NN)nc(N)n1.
What is the InChIKey of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is NFBFVLOIJNDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-7(2)9-5-11(8(3)4-10(9)15)21-13-6-12(20-17)18-14(16)19-13/h4-7H,17H2,1-3H3,(H3,16,18,19,20).
What are the key properties of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 307.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80912189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).