6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine

C10H9ClN4O3 — CID 55035481

IUPAC6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H9ClN4O3/c1-14(4-7-2-3-18-5-7)10-8(15(16)17)9(11)12-6-13-10/h2-3,5-6H,4H2,1H3
InChIKeyFSATWXZDNUGEMI-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.27
Rot. Bonds4

About 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine

6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 55035481) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
PubChem CID55035481
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H9ClN4O3/c1-14(4-7-2-3-18-5-7)10-8(15(16)17)9(11)12-6-13-10/h2-3,5-6H,4H2,1H3
InChIKeyFSATWXZDNUGEMI-UHFFFAOYSA-N
XLogP2.27
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.27
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-(furan-3-ylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80795691
6-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62102823
6-chloro-N-methyl-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 62100855
6-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101349
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101850
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 62101199
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101190
2-[(6-chloro-5-nitropyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 62101026
4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 61422628

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine (CID 55035481) is 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine is CN(Cc1ccoc1)c1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is FSATWXZDNUGEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3/c1-14(4-7-2-3-18-5-7)10-8(15(16)17)9(11)12-6-13-10/h2-3,5-6H,4H2,1H3.
What are the key properties of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine?
6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 268.66 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 55035481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).