N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide

C13H21N5O2 — CID 73168024

IUPACN-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C13H21N5O2/c1-4-5-12(19)16-9-13(20)15-8-10-14-7-6-11(17-10)18(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyAXTNCZCQGIHNGK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.08
Rot. Bonds7

About N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide

N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide (PubChem CID 73168024) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide
PubChem CID73168024
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C13H21N5O2/c1-4-5-12(19)16-9-13(20)15-8-10-14-7-6-11(17-10)18(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyAXTNCZCQGIHNGK-UHFFFAOYSA-N
XLogP0.08
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
(3S)-3-amino-6-(diaminomethylideneamino)-N-methyl-N-[6-oxo-2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-pyrimidin-5-yl]hexanamide;hydrobromide
CID 45264709
1,6-Dihydro-6-oxo-5-(4-pyrimidinylamino)-2-pyridinecarboxamide
CID 137631507
Piperazine, 1-(1,3-dioxobutyl)-4-(2-pyrimidinyl)-
CID 3074859
N-butyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 16189770
N-propyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2056701
(2S)-2-amino-5-(diaminomethylideneamino)-N-methyl-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 45102734
N-(2-pyrimidyl) butanamide
CID 4220870
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-(Pyrimidin-4-yl)acetamide
CID 316978
N-methylpyrimidine-2-carboxamide
CID 18505834

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide (CID 73168024) is N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide?
The InChIKey is AXTNCZCQGIHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-5-12(19)16-9-13(20)15-8-10-14-7-6-11(17-10)18(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,20)(H,16,19).
What are the key properties of N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide?
N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide has a molecular weight of 279.34 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)pyrimidin-2-yl]methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 73168024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).