N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine

C15H24N4O3 — CID 82454945

IUPACN-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(CC)nc(NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-3-10-22-15-13(19(20)21)14(17-12(4-2)18-15)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyQSPFVPGSDWLKDN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.48
Rot. Bonds7

About N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine

N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine (PubChem CID 82454945) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
PubChem CID82454945
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(CC)nc(NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-3-10-22-15-13(19(20)21)14(17-12(4-2)18-15)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyQSPFVPGSDWLKDN-UHFFFAOYSA-N
XLogP3.48
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.48
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

N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454720
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457012
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
2-cyclohexyl-N-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458454
2-cyclohexyl-N-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458455
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
N-cyclohexyl-6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454688
6-butoxy-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82455060
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine (CID 82454945) is N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine is CCCOc1nc(CC)nc(NC2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine?
The InChIKey is QSPFVPGSDWLKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-10-22-15-13(19(20)21)14(17-12(4-2)18-15)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine?
N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine has a molecular weight of 308.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82454945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).