N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide

C15H27N5O — CID 80779733

IUPACN,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
SMILESCCNc1ncnc(N(C)CC(=O)N(CC)CC)c1CC
InChIInChI=1S/C15H27N5O/c1-6-12-14(16-7-2)17-11-18-15(12)19(5)10-13(21)20(8-3)9-4/h11H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyISKYLQWOQFRSHH-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.78
Rot. Bonds8

About N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide

N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 80779733) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
PubChem CID80779733
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
SMILESCCNc1ncnc(N(C)CC(=O)N(CC)CC)c1CC
InChIInChI=1S/C15H27N5O/c1-6-12-14(16-7-2)17-11-18-15(12)19(5)10-13(21)20(8-3)9-4/h11H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyISKYLQWOQFRSHH-UHFFFAOYSA-N
XLogP1.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80850318
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954073
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 66334990
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
2-[cyclopentyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80786697
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide (CID 80779733) is N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide is CCNc1ncnc(N(C)CC(=O)N(CC)CC)c1CC.
What is the InChIKey of N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is ISKYLQWOQFRSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-12-14(16-7-2)17-11-18-15(12)19(5)10-13(21)20(8-3)9-4/h11H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide?
N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 293.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 80779733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).