N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide

C12H21N5O — CID 80657553

IUPACN-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(C)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C12H21N5O/c1-5-14-12(18)8-17(4)7-11-15-9(2)6-10(13-3)16-11/h6H,5,7-8H2,1-4H3,(H,14,18)(H,13,15,16)
InChIKeyAYEXWLAGZDHDMU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.39
Rot. Bonds6

About N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide

N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide (PubChem CID 80657553) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
PubChem CID80657553
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(C)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C12H21N5O/c1-5-14-12(18)8-17(4)7-11-15-9(2)6-10(13-3)16-11/h6H,5,7-8H2,1-4H3,(H,14,18)(H,13,15,16)
InChIKeyAYEXWLAGZDHDMU-UHFFFAOYSA-N
XLogP0.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657741
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80663277
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
CID 62208923
N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
CID 80657330
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 82978666
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide (CID 80657553) is N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide is CCNC(=O)CN(C)Cc1nc(C)cc(NC)n1.
What is the InChIKey of N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide?
The InChIKey is AYEXWLAGZDHDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-14-12(18)8-17(4)7-11-15-9(2)6-10(13-3)16-11/h6H,5,7-8H2,1-4H3,(H,14,18)(H,13,15,16).
What are the key properties of N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide?
N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 80657553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).