N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide

C13H22FN5O — CID 18769858

IUPACN-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCCC(CC)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1
InChIInChI=1S/C13H22FN5O/c1-6-9(7-2)16-12-18-10(13(4,5)14)17-11(19-12)15-8(3)20/h9H,6-7H2,1-5H3,(H2,15,16,17,18,19,20)
InChIKeyUNRKWRWWBDELQI-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.64
Rot. Bonds6

About N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide

N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide (PubChem CID 18769858) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide
PubChem CID18769858
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC NameN-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCCC(CC)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1
InChIInChI=1S/C13H22FN5O/c1-6-9(7-2)16-12-18-10(13(4,5)14)17-11(19-12)15-8(3)20/h9H,6-7H2,1-5H3,(H2,15,16,17,18,19,20)
InChIKeyUNRKWRWWBDELQI-UHFFFAOYSA-N
XLogP2.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide (CID 18769858) is N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide is CCC(CC)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1.
What is the InChIKey of N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is UNRKWRWWBDELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5O/c1-6-9(7-2)16-12-18-10(13(4,5)14)17-11(19-12)15-8(3)20/h9H,6-7H2,1-5H3,(H2,15,16,17,18,19,20).
What are the key properties of N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide?
N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 283.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 18769858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).