2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide

C13H23N5O — CID 107541774

IUPAC2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(C)cc(CN)n1
InChIInChI=1S/C13H23N5O/c1-5-18(6-2)12(19)9-17(4)13-15-10(3)7-11(8-14)16-13/h7H,5-6,8-9,14H2,1-4H3
InChIKeyFRESIJJGMPKTDG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.55
Rot. Bonds6

About 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide

2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide (PubChem CID 107541774) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide
PubChem CID107541774
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(C)cc(CN)n1
InChIInChI=1S/C13H23N5O/c1-5-18(6-2)12(19)9-17(4)13-15-10(3)7-11(8-14)16-13/h7H,5-6,8-9,14H2,1-4H3
InChIKeyFRESIJJGMPKTDG-UHFFFAOYSA-N
XLogP0.55
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 107541801
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide
CID 113387641
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541718
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
CID 71863717
2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 54943266
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol
CID 107541812
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide (CID 107541774) is 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nc(C)cc(CN)n1.
What is the InChIKey of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide?
The InChIKey is FRESIJJGMPKTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-18(6-2)12(19)9-17(4)13-15-10(3)7-11(8-14)16-13/h7H,5-6,8-9,14H2,1-4H3.
What are the key properties of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide?
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 107541774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).