1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea

C13H26N6O3 — CID 7364153

IUPAC1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1[C@H](NC(=O)NC(C)C)N(C)C(=O)N1C
InChIInChI=1S/C13H26N6O3/c1-7(2)14-11(20)16-9-10(17-12(21)15-8(3)4)19(6)13(22)18(9)5/h7-10H,1-6H3,(H2,14,16,20)(H2,15,17,21)/t9-,10+
InChIKeyQADUZHOMNVUIAR-AOOOYVTPSA-N
MW314.39 g/mol
LogP0.05
Rot. Bonds4

About 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea

1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea (PubChem CID 7364153) has the molecular formula C13H26N6O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea
PubChem CID7364153
Molecular FormulaC13H26N6O3
Molecular Weight314.39 g/mol
Exact Mass314.21
IUPAC Name1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1[C@H](NC(=O)NC(C)C)N(C)C(=O)N1C
InChIInChI=1S/C13H26N6O3/c1-7(2)14-11(20)16-9-10(17-12(21)15-8(3)4)19(6)13(22)18(9)5/h7-10H,1-6H3,(H2,14,16,20)(H2,15,17,21)/t9-,10+
InChIKeyQADUZHOMNVUIAR-AOOOYVTPSA-N
XLogP0.05
TPSA105.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea (CID 7364153) is 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H]1[C@H](NC(=O)NC(C)C)N(C)C(=O)N1C.
What is the InChIKey of 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea?
The InChIKey is QADUZHOMNVUIAR-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H26N6O3/c1-7(2)14-11(20)16-9-10(17-12(21)15-8(3)4)19(6)13(22)18(9)5/h7-10H,1-6H3,(H2,14,16,20)(H2,15,17,21)/t9-,10+.
What are the key properties of 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea?
1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea has a molecular weight of 314.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 7364153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).