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

C12H21N7O2 — CID 91693736

IUPACN-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide
SMILESCC(=O)N(C(N)=O)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7O2/c1-6(2)14-10-16-11(15-7(3)4)18-12(17-10)19(8(5)20)9(13)21/h6-7H,1-5H3,(H2,13,21)(H2,14,15,16,17,18)
InChIKeyJZXYVNLYMCGJFV-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.94
Rot. Bonds5

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

N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide (PubChem CID 91693736) 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]-N-carbamoylacetamide.

Molecular Properties

Compound NameN-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide
PubChem CID91693736
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide
SMILESCC(=O)N(C(N)=O)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7O2/c1-6(2)14-10-16-11(15-7(3)4)18-12(17-10)19(8(5)20)9(13)21/h6-7H,1-5H3,(H2,13,21)(H2,14,15,16,17,18)
InChIKeyJZXYVNLYMCGJFV-UHFFFAOYSA-N
XLogP0.94
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
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]-N-carbamoylacetamide?
The IUPAC name of N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide (CID 91693736) is N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide.
What is the SMILES notation for N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide?
The canonical SMILES for N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide is CC(=O)N(C(N)=O)c1nc(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]-N-carbamoylacetamide?
The InChIKey is JZXYVNLYMCGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-6(2)14-10-16-11(15-7(3)4)18-12(17-10)19(8(5)20)9(13)21/h6-7H,1-5H3,(H2,13,21)(H2,14,15,16,17,18).
What are the key properties of N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide?
N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-carbamoylacetamide has a molecular weight of 295.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 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]-N-carbamoylacetamide is sourced from PubChem (CID 91693736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).