5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine

C12H11ClN4O3 — CID 80880830

IUPAC5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1nc(N)ncc1Cl
InChIInChI=1S/C12H11ClN4O3/c1-6-4-10(7(2)3-9(6)17(18)19)20-11-8(13)5-15-12(14)16-11/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyGNYRZMXJBFBYFQ-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.03
Rot. Bonds3

About 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine

5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80880830) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
PubChem CID80880830
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1nc(N)ncc1Cl
InChIInChI=1S/C12H11ClN4O3/c1-6-4-10(7(2)3-9(6)17(18)19)20-11-8(13)5-15-12(14)16-11/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyGNYRZMXJBFBYFQ-UHFFFAOYSA-N
XLogP3.03
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.03
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

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-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
3,6-dichloro-5-(2,5-dimethyl-4-nitrophenoxy)-1,2,4-triazine
CID 81036467
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
5-chloro-N-methyl-4-(3-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80871950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine (CID 80880830) is 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine is Cc1cc([N+](=O)[O-])c(C)cc1Oc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is GNYRZMXJBFBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-6-4-10(7(2)3-9(6)17(18)19)20-11-8(13)5-15-12(14)16-11/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine?
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 294.70 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80880830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).