2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide

C10H16ClN5O — CID 55142736

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C10H16ClN5O/c1-3-4-13-7(17)5-16(2)10-8(12)9(11)14-6-15-10/h6H,3-5,12H2,1-2H3,(H,13,17)
InChIKeyMNWIZQDPIUQOIZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.67
Rot. Bonds5

About 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 55142736) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID55142736
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C10H16ClN5O/c1-3-4-13-7(17)5-16(2)10-8(12)9(11)14-6-15-10/h6H,3-5,12H2,1-2H3,(H,13,17)
InChIKeyMNWIZQDPIUQOIZ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 55142736) is 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is MNWIZQDPIUQOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-3-4-13-7(17)5-16(2)10-8(12)9(11)14-6-15-10/h6H,3-5,12H2,1-2H3,(H,13,17).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(5-amino-6-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-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 55142736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).