N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine

C11H17N5O2 — CID 20545073

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine
SMILESCCOc1ncnc(OCC)c1NC1=NCCN1
InChIInChI=1S/C11H17N5O2/c1-3-17-9-8(16-11-12-5-6-13-11)10(18-4-2)15-7-14-9/h7H,3-6H2,1-2H3,(H2,12,13,16)
InChIKeyPVYKIWZBYVAMCL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.65
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine (PubChem CID 20545073) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine
PubChem CID20545073
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine
SMILESCCOc1ncnc(OCC)c1NC1=NCCN1
InChIInChI=1S/C11H17N5O2/c1-3-17-9-8(16-11-12-5-6-13-11)10(18-4-2)15-7-14-9/h7H,3-6H2,1-2H3,(H2,12,13,16)
InChIKeyPVYKIWZBYVAMCL-UHFFFAOYSA-N
XLogP0.65
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine (CID 20545073) is N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine is CCOc1ncnc(OCC)c1NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine?
The InChIKey is PVYKIWZBYVAMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-17-9-8(16-11-12-5-6-13-11)10(18-4-2)15-7-14-9/h7H,3-6H2,1-2H3,(H2,12,13,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine has a molecular weight of 251.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-diethoxypyrimidin-5-amine is sourced from PubChem (CID 20545073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).