2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide

C13H23N5O — CID 75400681

IUPAC2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccnc(N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-5-7-14-12(19)10-18(4)9-11-6-8-15-13(16-11)17(2)3/h6,8H,5,7,9-10H2,1-4H3,(H,14,19)
InChIKeyFPNMCPWQWLRVBB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.50
Rot. Bonds7

About 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide

2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide (PubChem CID 75400681) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide
PubChem CID75400681
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccnc(N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-5-7-14-12(19)10-18(4)9-11-6-8-15-13(16-11)17(2)3/h6,8H,5,7,9-10H2,1-4H3,(H,14,19)
InChIKeyFPNMCPWQWLRVBB-UHFFFAOYSA-N
XLogP0.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide (CID 75400681) is 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1ccnc(N(C)C)n1.
What is the InChIKey of 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide?
The InChIKey is FPNMCPWQWLRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-14-12(19)10-18(4)9-11-6-8-15-13(16-11)17(2)3/h6,8H,5,7,9-10H2,1-4H3,(H,14,19).
What are the key properties of 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide?
2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyrimidin-4-yl]methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 75400681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).