N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

C15H27N5O — CID 80786397

IUPACN-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(N(C)CC(=O)NCC)c1C(C)C
InChIInChI=1S/C15H27N5O/c1-6-8-17-14-13(11(3)4)15(19-10-18-14)20(5)9-12(21)16-7-2/h10-11H,6-9H2,1-5H3,(H,16,21)(H,17,18,19)
InChIKeyXOABPSXFWVZEJO-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.99
Rot. Bonds8

About N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80786397) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80786397
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(N(C)CC(=O)NCC)c1C(C)C
InChIInChI=1S/C15H27N5O/c1-6-8-17-14-13(11(3)4)15(19-10-18-14)20(5)9-12(21)16-7-2/h10-11H,6-9H2,1-5H3,(H,16,21)(H,17,18,19)
InChIKeyXOABPSXFWVZEJO-UHFFFAOYSA-N
XLogP1.99
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80839941
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118658
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80786397) is N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1ncnc(N(C)CC(=O)NCC)c1C(C)C.
What is the InChIKey of N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is XOABPSXFWVZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-8-17-14-13(11(3)4)15(19-10-18-14)20(5)9-12(21)16-7-2/h10-11H,6-9H2,1-5H3,(H,16,21)(H,17,18,19).
What are the key properties of N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 293.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80786397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).