2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide

C10H16ClN5O — CID 80808691

IUPAC2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(N)ncc1Cl
InChIInChI=1S/C10H16ClN5O/c1-3-4-13-8(17)6-16(2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15)
InChIKeyKOYCSANKEAEBEM-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.67
Rot. Bonds5

About 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 80808691) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID80808691
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(N)ncc1Cl
InChIInChI=1S/C10H16ClN5O/c1-3-4-13-8(17)6-16(2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15)
InChIKeyKOYCSANKEAEBEM-UHFFFAOYSA-N
XLogP0.67
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
CID 83131702
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 107194778
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 114053145

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 80808691) is 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(N)ncc1Cl.
What is the InChIKey of 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is KOYCSANKEAEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-3-4-13-8(17)6-16(2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15).
What are the key properties of 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide has a molecular weight of 257.72 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 80808691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).