2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide

C15H27N5O — CID 80960984

IUPAC2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCCNc1cc(N(CC)CC(=O)N(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N5O/c1-7-16-12-9-13(18-15(17-12)11(3)4)20(8-2)10-14(21)19(5)6/h9,11H,7-8,10H2,1-6H3,(H,16,17,18)
InChIKeyZQVCBKCCJZIADY-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.95
Rot. Bonds7

About 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide

2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide (PubChem CID 80960984) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
PubChem CID80960984
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCCNc1cc(N(CC)CC(=O)N(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N5O/c1-7-16-12-9-13(18-15(17-12)11(3)4)20(8-2)10-14(21)19(5)6/h9,11H,7-8,10H2,1-6H3,(H,16,17,18)
InChIKeyZQVCBKCCJZIADY-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
N,N-dimethyl-2-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-propylamino]acetamide
CID 80961595
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918578
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80953303
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide (CID 80960984) is 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide is CCNc1cc(N(CC)CC(=O)N(C)C)nc(C(C)C)n1.
What is the InChIKey of 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The InChIKey is ZQVCBKCCJZIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-7-16-12-9-13(18-15(17-12)11(3)4)20(8-2)10-14(21)19(5)6/h9,11H,7-8,10H2,1-6H3,(H,16,17,18).
What are the key properties of 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide has a molecular weight of 293.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80960984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).