1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea

C9H16N4O — CID 118475943

IUPAC1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)C1C=CNC=N1
InChIInChI=1S/C9H16N4O/c1-4-13(9(14)12(2)3)8-5-6-10-7-11-8/h5-8H,4H2,1-3H3,(H,10,11)
InChIKeyFWWKYQVRLGTAND-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.46
Rot. Bonds2

About 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea

1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea (PubChem CID 118475943) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea
PubChem CID118475943
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)C1C=CNC=N1
InChIInChI=1S/C9H16N4O/c1-4-13(9(14)12(2)3)8-5-6-10-7-11-8/h5-8H,4H2,1-3H3,(H,10,11)
InChIKeyFWWKYQVRLGTAND-UHFFFAOYSA-N
XLogP0.46
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea?
The IUPAC name of 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea (CID 118475943) is 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea.
What is the SMILES notation for 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea?
The canonical SMILES for 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea is CCN(C(=O)N(C)C)C1C=CNC=N1.
What is the InChIKey of 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea?
The InChIKey is FWWKYQVRLGTAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-13(9(14)12(2)3)8-5-6-10-7-11-8/h5-8H,4H2,1-3H3,(H,10,11).
What are the key properties of 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea?
1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea has a molecular weight of 196.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 118475943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).