1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea

C13H20N4O2 — CID 75398743

IUPAC1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea
SMILESCN(CCc1cnccn1)C(=O)NCC1CCCO1
InChIInChI=1S/C13H20N4O2/c1-17(7-4-11-9-14-5-6-15-11)13(18)16-10-12-3-2-8-19-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyRBBBBENLVKBGQY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.84
Rot. Bonds5

About 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea

1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea (PubChem CID 75398743) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea
PubChem CID75398743
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea
SMILESCN(CCc1cnccn1)C(=O)NCC1CCCO1
InChIInChI=1S/C13H20N4O2/c1-17(7-4-11-9-14-5-6-15-11)13(18)16-10-12-3-2-8-19-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyRBBBBENLVKBGQY-UHFFFAOYSA-N
XLogP0.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea
CID 126430739
5-[[methyl(pyrazin-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77083663
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129340224
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]acetamide
CID 111139967
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94198642
6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153658
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea (CID 75398743) is 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea is CN(CCc1cnccn1)C(=O)NCC1CCCO1.
What is the InChIKey of 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea?
The InChIKey is RBBBBENLVKBGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(7-4-11-9-14-5-6-15-11)13(18)16-10-12-3-2-8-19-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea?
1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea has a molecular weight of 264.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea is sourced from PubChem (CID 75398743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).