4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine

C10H14N4O3 — CID 106207578

IUPAC4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
SMILESCc1nc(N)nc(OCCC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-6-8(14(15)16)9(13-10(11)12-6)17-5-4-7-2-3-7/h7H,2-5H2,1H3,(H2,11,12,13)
InChIKeyMEXCJZSIMOYPFZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.45
Rot. Bonds5

About 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine

4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine (PubChem CID 106207578) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
PubChem CID106207578
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
SMILESCc1nc(N)nc(OCCC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-6-8(14(15)16)9(13-10(11)12-6)17-5-4-7-2-3-7/h7H,2-5H2,1H3,(H2,11,12,13)
InChIKeyMEXCJZSIMOYPFZ-UHFFFAOYSA-N
XLogP1.45
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.45
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

4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
CID 106207830
4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 25421423
6-(cyclohexylmethoxy)-5-nitropyrimidine-2,4-diamine
CID 46221685
6-(2-cyclopropylethoxy)-3-nitropyridin-2-amine
CID 106207381
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine
CID 106201301
4-(2-cyclobutylethoxy)-5-methylpyrimidin-2-amine
CID 106207711
5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
CID 106207418
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine
CID 114044456
4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044198

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine (CID 106207578) is 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine is Cc1nc(N)nc(OCCC2CC2)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine?
The InChIKey is MEXCJZSIMOYPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6-8(14(15)16)9(13-10(11)12-6)17-5-4-7-2-3-7/h7H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine?
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine has a molecular weight of 238.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine is sourced from PubChem (CID 106207578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).