2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide

C10H15ClN4O — CID 60725995

IUPAC2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)ncn1
InChIInChI=1S/C10H15ClN4O/c1-3-4-12-10(16)6-15(2)9-5-8(11)13-7-14-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)
InChIKeyFDNIXUVJVAFBKT-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.09
Rot. Bonds5

About 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 60725995) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID60725995
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)ncn1
InChIInChI=1S/C10H15ClN4O/c1-3-4-12-10(16)6-15(2)9-5-8(11)13-7-14-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)
InChIKeyFDNIXUVJVAFBKT-UHFFFAOYSA-N
XLogP1.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
CID 91792104
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 114053145
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 80933651
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide
CID 134710890

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 60725995) is 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(Cl)ncn1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is FDNIXUVJVAFBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-3-4-12-10(16)6-15(2)9-5-8(11)13-7-14-9/h5,7H,3-4,6H2,1-2H3,(H,12,16).
What are the key properties of 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide has a molecular weight of 242.71 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 60725995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).