[1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea

C12H25N5O3 — CID 89492744

IUPAC[1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea
SMILESNC(=O)NC1CCN(CCC[C@@H](N)CCCO)C(=O)N1
InChIInChI=1S/C12H25N5O3/c13-9(4-2-8-18)3-1-6-17-7-5-10(15-11(14)19)16-12(17)20/h9-10,18H,1-8,13H2,(H,16,20)(H3,14,15,19)/t9-,10?/m1/s1
InChIKeyDBUKQDMWGWNJIT-YHMJZVADSA-N
MW287.36 g/mol
LogP-0.72
Rot. Bonds8

About [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea

[1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea (PubChem CID 89492744) has the molecular formula C12H25N5O3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea.

Molecular Properties

Compound Name[1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea
PubChem CID89492744
Molecular FormulaC12H25N5O3
Molecular Weight287.36 g/mol
Exact Mass287.20
IUPAC Name[1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea
SMILESNC(=O)NC1CCN(CCC[C@@H](N)CCCO)C(=O)N1
InChIInChI=1S/C12H25N5O3/c13-9(4-2-8-18)3-1-6-17-7-5-10(15-11(14)19)16-12(17)20/h9-10,18H,1-8,13H2,(H,16,20)(H3,14,15,19)/t9-,10?/m1/s1
InChIKeyDBUKQDMWGWNJIT-YHMJZVADSA-N
XLogP-0.72
TPSA133.71 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea?
The IUPAC name of [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea (CID 89492744) is [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea.
What is the SMILES notation for [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea?
The canonical SMILES for [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea is NC(=O)NC1CCN(CCC[C@@H](N)CCCO)C(=O)N1.
What is the InChIKey of [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea?
The InChIKey is DBUKQDMWGWNJIT-YHMJZVADSA-N. The full InChI is InChI=1S/C12H25N5O3/c13-9(4-2-8-18)3-1-6-17-7-5-10(15-11(14)19)16-12(17)20/h9-10,18H,1-8,13H2,(H,16,20)(H3,14,15,19)/t9-,10?/m1/s1.
What are the key properties of [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea?
[1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea has a molecular weight of 287.36 g/mol, XLogP of -0.72, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4R)-4-amino-7-hydroxyheptyl]-2-oxo-1,3-diazinan-4-yl]urea is sourced from PubChem (CID 89492744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).