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

C12H21N7O2 — CID 547027

IUPACN-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7O2/c1-6(2)13-9-16-10(14-7(3)4)18-11(17-9)19-12(21)15-8(5)20/h6-7H,1-5H3,(H4,13,14,15,16,17,18,19,20,21)
InChIKeyAXMVREMKKPGKJW-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.18
Rot. Bonds5

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

N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide (PubChem CID 547027) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide
PubChem CID547027
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7O2/c1-6(2)13-9-16-10(14-7(3)4)18-11(17-9)19-12(21)15-8(5)20/h6-7H,1-5H3,(H4,13,14,15,16,17,18,19,20,21)
InChIKeyAXMVREMKKPGKJW-UHFFFAOYSA-N
XLogP1.18
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide?
The IUPAC name of N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide (CID 547027) is N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide.
What is the SMILES notation for N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide?
The canonical SMILES for N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide is CC(=O)NC(=O)Nc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide?
The InChIKey is AXMVREMKKPGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-6(2)13-9-16-10(14-7(3)4)18-11(17-9)19-12(21)15-8(5)20/h6-7H,1-5H3,(H4,13,14,15,16,17,18,19,20,21).
What are the key properties of N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide?
N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 547027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).