N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide

C12H20N4O2 — CID 113407899

IUPACN-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
SMILESCOc1cc(NC(C)C(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C12H20N4O2/c1-8(11(17)16-12(2,3)4)15-9-6-10(18-5)14-7-13-9/h6-8H,1-5H3,(H,16,17)(H,13,14,15)
InChIKeyUKPORYCEINBSQL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.20
Rot. Bonds4

About N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide

N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide (PubChem CID 113407899) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
PubChem CID113407899
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
SMILESCOc1cc(NC(C)C(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C12H20N4O2/c1-8(11(17)16-12(2,3)4)15-9-6-10(18-5)14-7-13-9/h6-8H,1-5H3,(H,16,17)(H,13,14,15)
InChIKeyUKPORYCEINBSQL-UHFFFAOYSA-N
XLogP1.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide (CID 113407899) is N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide is COc1cc(NC(C)C(=O)NC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
The InChIKey is UKPORYCEINBSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(11(17)16-12(2,3)4)15-9-6-10(18-5)14-7-13-9/h6-8H,1-5H3,(H,16,17)(H,13,14,15).
What are the key properties of N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide?
N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 113407899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).