3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

C9H13ClN4O2 — CID 136914197

IUPAC3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyUEQZNXACTMXKLL-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.00
Rot. Bonds4

About 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 136914197) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID136914197
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyUEQZNXACTMXKLL-UHFFFAOYSA-N
XLogP-0.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114583184
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114583283
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671887
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713546
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713572
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136829851
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843228
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843237
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N'-hydroxypropanimidamide
CID 136900953

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 136914197) is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is UEQZNXACTMXKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 244.68 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 136914197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).