2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide

C13H23N5O — CID 107541801

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

About 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide

2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 107541801) 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]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID107541801
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(C)cc(CN)n1
InChIInChI=1S/C13H23N5O/c1-5-6-18(9-12(19)17(3)4)13-15-10(2)7-11(8-14)16-13/h7H,5-6,8-9,14H2,1-4H3
InChIKeyCCTDFRPUAKLZPS-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]-methylamino]-N,N-diethylacetamide
CID 107541774
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
CID 62868725
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806362
N'-(4,6-dimethylpyrimidin-2-yl)-N'-propylethane-1,2-diamine
CID 63766271
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62673047
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 104533692
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80987636

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide (CID 107541801) is 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc(C)cc(CN)n1.
What is the InChIKey of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is CCTDFRPUAKLZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-6-18(9-12(19)17(3)4)13-15-10(2)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]-propylamino]-N,N-dimethylacetamide?
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide 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]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 107541801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).