N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C12H20N4O2 — CID 136957117

IUPACN-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-8-14-9(7-11(18)15-8)13-6-5-10(17)16-12(2,3)4/h7H,5-6H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyXDDCYWNXIHKXIB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.80
Rot. Bonds4

About N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136957117) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136957117
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-8-14-9(7-11(18)15-8)13-6-5-10(17)16-12(2,3)4/h7H,5-6H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyXDDCYWNXIHKXIB-UHFFFAOYSA-N
XLogP0.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136957117) is N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is Cc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is XDDCYWNXIHKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-14-9(7-11(18)15-8)13-6-5-10(17)16-12(2,3)4/h7H,5-6H2,1-4H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136957117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).