2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine

C15H22N6O — CID 82456253

IUPAC2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(C2CC2)nc(NCCCn2ccnc2)c1N
InChIInChI=1S/C15H22N6O/c1-2-22-15-12(16)14(19-13(20-15)11-4-5-11)18-6-3-8-21-9-7-17-10-21/h7,9-11H,2-6,8,16H2,1H3,(H,18,19,20)
InChIKeyRVPTXWFOSXBFOY-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.03
Rot. Bonds8

About 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine

2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine (PubChem CID 82456253) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
PubChem CID82456253
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(C2CC2)nc(NCCCn2ccnc2)c1N
InChIInChI=1S/C15H22N6O/c1-2-22-15-12(16)14(19-13(20-15)11-4-5-11)18-6-3-8-21-9-7-17-10-21/h7,9-11H,2-6,8,16H2,1H3,(H,18,19,20)
InChIKeyRVPTXWFOSXBFOY-UHFFFAOYSA-N
XLogP2.03
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80995126
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82456230
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455220
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
CID 82456191
5-ethoxy-3-N-(4-imidazol-1-ylbutyl)benzene-1,3-diamine
CID 80739747
ethyl 1-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142336

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine (CID 82456253) is 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine is CCOc1nc(C2CC2)nc(NCCCn2ccnc2)c1N.
What is the InChIKey of 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine?
The InChIKey is RVPTXWFOSXBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-22-15-12(16)14(19-13(20-15)11-4-5-11)18-6-3-8-21-9-7-17-10-21/h7,9-11H,2-6,8,16H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine?
2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82456253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).