2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide

C9H13ClN4O2 — CID 137009190

IUPAC2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-3-14(4-6(15)11-2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyPQTDKTHRLBWVLW-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.00
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide (PubChem CID 137009190) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide
PubChem CID137009190
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-3-14(4-6(15)11-2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyPQTDKTHRLBWVLW-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

5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136970954
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
5-chloro-4-[2-hydroxyethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 136979824
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
CID 102756769
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009363
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136974772
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 136974238
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide (CID 137009190) is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The InChIKey is PQTDKTHRLBWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-3-14(4-6(15)11-2)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 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide?
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide 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 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 137009190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).