6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine

C10H15ClN4O2 — CID 62100691

IUPAC6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(C)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H15ClN4O2/c1-4-7(5-2)14(3)10-8(15(16)17)9(11)12-6-13-10/h6-7H,4-5H2,1-3H3
InChIKeyUCWQJJWSZMSPEI-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.66
Rot. Bonds5

About 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine

6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 62100691) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
PubChem CID62100691
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(C)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H15ClN4O2/c1-4-7(5-2)14(3)10-8(15(16)17)9(11)12-6-13-10/h6-7H,4-5H2,1-3H3
InChIKeyUCWQJJWSZMSPEI-UHFFFAOYSA-N
XLogP2.66
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
CID 62101508
6-chloro-N-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488086
6-chloro-N,N-bis(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 107870670
2-[(6-chloro-5-nitropyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 62101026
6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 112668063
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 13157472
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 62101199
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
3-[(6-chloro-5-nitropyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 62101200

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine (CID 62100691) is 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)N(C)c1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is UCWQJJWSZMSPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-4-7(5-2)14(3)10-8(15(16)17)9(11)12-6-13-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine?
6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 62100691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).