N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide

C14H24N4O2 — CID 19979333

IUPACN-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(C(O)CNC(C)(C)C)cn1
InChIInChI=1S/C14H24N4O2/c1-9(2)12(20)18-13-15-6-10(7-16-13)11(19)8-17-14(3,4)5/h6-7,9,11,17,19H,8H2,1-5H3,(H,15,16,18,20)
InChIKeyWQMDMAAJLFVOBT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds5

About N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide

N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 19979333) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide
PubChem CID19979333
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(C(O)CNC(C)(C)C)cn1
InChIInChI=1S/C14H24N4O2/c1-9(2)12(20)18-13-15-6-10(7-16-13)11(19)8-17-14(3,4)5/h6-7,9,11,17,19H,8H2,1-5H3,(H,15,16,18,20)
InChIKeyWQMDMAAJLFVOBT-UHFFFAOYSA-N
XLogP1.49
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide (CID 19979333) is N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ncc(C(O)CNC(C)(C)C)cn1.
What is the InChIKey of N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is WQMDMAAJLFVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)12(20)18-13-15-6-10(7-16-13)11(19)8-17-14(3,4)5/h6-7,9,11,17,19H,8H2,1-5H3,(H,15,16,18,20).
What are the key properties of N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide?
N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(tert-butylamino)-1-hydroxyethyl]pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 19979333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).