2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine

C14H22N4O4 — CID 82458912

IUPAC2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
SMILESCOCCNc1nc(C2CC2)nc(OCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O4/c1-9(2)8-22-14-11(18(19)20)13(15-6-7-21-3)16-12(17-14)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyCJZOTSNIHMCMCM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.36
Rot. Bonds9

About 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine

2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine (PubChem CID 82458912) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
PubChem CID82458912
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
SMILESCOCCNc1nc(C2CC2)nc(OCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O4/c1-9(2)8-22-14-11(18(19)20)13(15-6-7-21-3)16-12(17-14)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyCJZOTSNIHMCMCM-UHFFFAOYSA-N
XLogP2.36
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82459022
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625
N-(2-cyclopropyl-6-ethoxy-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82458878
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
2-cyclohexyl-N-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458455
N-butan-2-yl-6-butoxy-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82458922
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018
6-chloro-2-cyclopropyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82459024
N-benzyl-2-cyclopropyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82458864
2-cyclohexyl-N-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458454
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456285
2-tert-butyl-6-methoxy-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82456953

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine (CID 82458912) is 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine is COCCNc1nc(C2CC2)nc(OCC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The InChIKey is CJZOTSNIHMCMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-9(2)8-22-14-11(18(19)20)13(15-6-7-21-3)16-12(17-14)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine has a molecular weight of 310.35 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82458912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).