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

C9H14N4O2 — CID 136914212

IUPACN-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)CCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-10-8(14)3-4-13(2)7-5-9(15)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,14)(H,11,12,15)
InChIKeyRODDUZHKSBJKJJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.66
Rot. Bonds4

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

N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136914212) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136914212
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)CCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-10-8(14)3-4-13(2)7-5-9(15)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,14)(H,11,12,15)
InChIKeyRODDUZHKSBJKJJ-UHFFFAOYSA-N
XLogP-0.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957960
6-[(2,2-Difluoropropyl)(methyl)amino]-3,4-dihydropyrimidin-4-one
CID 164653011
2-methyl-N-(1-methyl-6-oxopyrimidin-4-yl)propanamide
CID 132218248
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-butylurea
CID 136062932
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136914212) is N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CNC(=O)CCN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is RODDUZHKSBJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-10-8(14)3-4-13(2)7-5-9(15)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,14)(H,11,12,15).
What are the key properties of N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136914212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).