N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine

C10H15ClN4O2 — CID 62101508

IUPACN-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H15ClN4O2/c1-3-5-6-14(4-2)10-8(15(16)17)9(11)12-7-13-10/h7H,3-6H2,1-2H3
InChIKeyPSWFPSILRGVOHI-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.66
Rot. Bonds6

About N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine

N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine (PubChem CID 62101508) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
PubChem CID62101508
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC NameN-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H15ClN4O2/c1-3-5-6-14(4-2)10-8(15(16)17)9(11)12-7-13-10/h7H,3-6H2,1-2H3
InChIKeyPSWFPSILRGVOHI-UHFFFAOYSA-N
XLogP2.66
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 13157472
6-chloro-N,N-bis(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 107870670
N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63735068
6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 62100691
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
4-N,6-N-diethyl-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80773861
6-N-butyl-6-N-methyl-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine
CID 23491699
6-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 55035765
4-chloro-6-heptoxy-5-nitropyrimidine
CID 62101502
2-[[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23492925
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine (CID 62101508) is N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine is CCCCN(CC)c1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine?
The InChIKey is PSWFPSILRGVOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-5-6-14(4-2)10-8(15(16)17)9(11)12-7-13-10/h7H,3-6H2,1-2H3.
What are the key properties of N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine?
N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 62101508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).