[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea

C10H19N7O — CID 1158998

IUPAC[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea
SMILESCC(C)Nc1nc(NC(N)=O)nc(NC(C)C)n1
InChIInChI=1S/C10H19N7O/c1-5(2)12-8-15-9(13-6(3)4)17-10(16-8)14-7(11)18/h5-6H,1-4H3,(H5,11,12,13,14,15,16,17,18)
InChIKeyDIBUSBWNRGIBKQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.00
Rot. Bonds5

About [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea

[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea (PubChem CID 1158998) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea
PubChem CID1158998
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea
SMILESCC(C)Nc1nc(NC(N)=O)nc(NC(C)C)n1
InChIInChI=1S/C10H19N7O/c1-5(2)12-8-15-9(13-6(3)4)17-10(16-8)14-7(11)18/h5-6H,1-4H3,(H5,11,12,13,14,15,16,17,18)
InChIKeyDIBUSBWNRGIBKQ-UHFFFAOYSA-N
XLogP1.00
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea (CID 1158998) is [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea is CC(C)Nc1nc(NC(N)=O)nc(NC(C)C)n1.
What is the InChIKey of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea?
The InChIKey is DIBUSBWNRGIBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-5(2)12-8-15-9(13-6(3)4)17-10(16-8)14-7(11)18/h5-6H,1-4H3,(H5,11,12,13,14,15,16,17,18).
What are the key properties of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea?
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea has a molecular weight of 253.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 1158998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).