6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine

C11H11ClN4O3 — CID 62101850

IUPAC6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1ccc(CN(C)c2ncnc(Cl)c2[N+](=O)[O-])o1
InChIInChI=1S/C11H11ClN4O3/c1-7-3-4-8(19-7)5-15(2)11-9(16(17)18)10(12)13-6-14-11/h3-4,6H,5H2,1-2H3
InChIKeyCFTQFPSYZXEXIQ-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.58
Rot. Bonds4

About 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine

6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 62101850) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID62101850
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1ccc(CN(C)c2ncnc(Cl)c2[N+](=O)[O-])o1
InChIInChI=1S/C11H11ClN4O3/c1-7-3-4-8(19-7)5-15(2)11-9(16(17)18)10(12)13-6-14-11/h3-4,6H,5H2,1-2H3
InChIKeyCFTQFPSYZXEXIQ-UHFFFAOYSA-N
XLogP2.58
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.58
H-Bond Donors ≤ 50
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

6-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80773773
6-chloro-N-methyl-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 62100855
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729253
6-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62102823
6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
CID 55035481
6-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101349
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101190
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 62101199
2-[(6-chloro-5-nitropyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 62101026
6-chloro-N-methyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
CID 62101698
6-chloro-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 63271589

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine (CID 62101850) is 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine is Cc1ccc(CN(C)c2ncnc(Cl)c2[N+](=O)[O-])o1.
What is the InChIKey of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is CFTQFPSYZXEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-7-3-4-8(19-7)5-15(2)11-9(16(17)18)10(12)13-6-14-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine?
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 282.69 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 62101850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).