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

C9H14N4O2 — CID 136956197

IUPACN,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCN(C)C(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-13(2)9(15)3-4-10-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyNYHXONIADVDHAA-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.34
Rot. Bonds4

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

N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136956197) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136956197
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCN(C)C(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-13(2)9(15)3-4-10-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyNYHXONIADVDHAA-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
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,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136956197) is N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CN(C)C(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is NYHXONIADVDHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13(2)9(15)3-4-10-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136956197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).