3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine

C10H18N4 — CID 163845514

IUPAC3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine
SMILESCC[C@@H]1NCCN1CN1C=NC=CC1
InChIInChI=1S/C10H18N4/c1-2-10-12-5-7-14(10)9-13-6-3-4-11-8-13/h3-4,8,10,12H,2,5-7,9H2,1H3/t10-/m1/s1
InChIKeyOPUDVKBVLZSPRE-SNVBAGLBSA-N
MW194.28 g/mol
LogP0.44
Rot. Bonds3

About 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine

3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine (PubChem CID 163845514) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine.

Molecular Properties

Compound Name3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine
PubChem CID163845514
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine
SMILESCC[C@@H]1NCCN1CN1C=NC=CC1
InChIInChI=1S/C10H18N4/c1-2-10-12-5-7-14(10)9-13-6-3-4-11-8-13/h3-4,8,10,12H,2,5-7,9H2,1H3/t10-/m1/s1
InChIKeyOPUDVKBVLZSPRE-SNVBAGLBSA-N
XLogP0.44
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine?
The IUPAC name of 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine (CID 163845514) is 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine.
What is the SMILES notation for 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine?
The canonical SMILES for 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine is CC[C@@H]1NCCN1CN1C=NC=CC1.
What is the InChIKey of 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine?
The InChIKey is OPUDVKBVLZSPRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-10-12-5-7-14(10)9-13-6-3-4-11-8-13/h3-4,8,10,12H,2,5-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine?
3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-ethylimidazolidin-1-yl]methyl]-4H-pyrimidine is sourced from PubChem (CID 163845514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).