2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide

C15H25N5O — CID 80961853

IUPAC2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
SMILESCCCNc1cc(N(CC)CC(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C15H25N5O/c1-4-8-17-12-9-13(19-15(18-12)11-6-7-11)20(5-2)10-14(21)16-3/h9,11H,4-8,10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyXMEIZMUAVOEOHI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds8

About 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide

2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide (PubChem CID 80961853) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
PubChem CID80961853
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
SMILESCCCNc1cc(N(CC)CC(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C15H25N5O/c1-4-8-17-12-9-13(19-15(18-12)11-6-7-11)20(5-2)10-14(21)16-3/h9,11H,4-8,10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyXMEIZMUAVOEOHI-UHFFFAOYSA-N
XLogP1.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
CID 80806263
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280526
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80969713
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
2-[ethyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 103104455

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide (CID 80961853) is 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide is CCCNc1cc(N(CC)CC(=O)NC)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide?
The InChIKey is XMEIZMUAVOEOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-8-17-12-9-13(19-15(18-12)11-6-7-11)20(5-2)10-14(21)16-3/h9,11H,4-8,10H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide?
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide has a molecular weight of 291.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 80961853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).