N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide

C13H22N6O — CID 133432157

IUPACN-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)c1nc(NCC(=O)NC2CC2)nc(N(C)C)n1
InChIInChI=1S/C13H22N6O/c1-8(2)11-16-12(18-13(17-11)19(3)4)14-7-10(20)15-9-5-6-9/h8-9H,5-7H2,1-4H3,(H,15,20)(H,14,16,17,18)
InChIKeyODUFLMUZMSGBKW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.75
Rot. Bonds6

About N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide

N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 133432157) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID133432157
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)c1nc(NCC(=O)NC2CC2)nc(N(C)C)n1
InChIInChI=1S/C13H22N6O/c1-8(2)11-16-12(18-13(17-11)19(3)4)14-7-10(20)15-9-5-6-9/h8-9H,5-7H2,1-4H3,(H,15,20)(H,14,16,17,18)
InChIKeyODUFLMUZMSGBKW-UHFFFAOYSA-N
XLogP0.75
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide (CID 133432157) is N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide is CC(C)c1nc(NCC(=O)NC2CC2)nc(N(C)C)n1.
What is the InChIKey of N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is ODUFLMUZMSGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-8(2)11-16-12(18-13(17-11)19(3)4)14-7-10(20)15-9-5-6-9/h8-9H,5-7H2,1-4H3,(H,15,20)(H,14,16,17,18).
What are the key properties of N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide?
N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 133432157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).