5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine

C11H9ClN4O3 — CID 80871149

IUPAC5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
SMILESCc1cccc(Oc2nc(N)ncc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-6-3-2-4-8(9(6)16(17)18)19-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyFSLVFAFUGMASRM-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.72
Rot. Bonds3

About 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine

5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80871149) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
PubChem CID80871149
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
SMILESCc1cccc(Oc2nc(N)ncc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-6-3-2-4-8(9(6)16(17)18)19-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyFSLVFAFUGMASRM-UHFFFAOYSA-N
XLogP2.72
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
CID 102760816
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 80878479
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920594
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
5-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391332
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine (CID 80871149) is 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine is Cc1cccc(Oc2nc(N)ncc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is FSLVFAFUGMASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-6-3-2-4-8(9(6)16(17)18)19-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine?
5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 280.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80871149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).