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

C12H20N4O2 — CID 137015428

IUPACN,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O2/c1-4-16(5-2)12(18)6-7-13-10-8-11(17)15-9(3)14-10/h8H,4-7H2,1-3H3,(H2,13,14,15,17)
InChIKeyGJKZQJVQPMQGCA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.75
Rot. Bonds6

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

N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 137015428) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID137015428
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O2/c1-4-16(5-2)12(18)6-7-13-10-8-11(17)15-9(3)14-10/h8H,4-7H2,1-3H3,(H2,13,14,15,17)
InChIKeyGJKZQJVQPMQGCA-UHFFFAOYSA-N
XLogP0.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113224877
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
CID 136956188
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
CID 106549555

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 137015428) is N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CCN(CC)C(=O)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is GJKZQJVQPMQGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-16(5-2)12(18)6-7-13-10-8-11(17)15-9(3)14-10/h8H,4-7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 137015428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).