N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide

C15H27N5O — CID 80792142

IUPACN-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
SMILESCCCc1c(NC)ncnc1NCCC(=O)NC(C)CC
InChIInChI=1S/C15H27N5O/c1-5-7-12-14(16-4)18-10-19-15(12)17-9-8-13(21)20-11(3)6-2/h10-11H,5-9H2,1-4H3,(H,20,21)(H2,16,17,18,19)
InChIKeyPSQWZYKSNWLODG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.19
Rot. Bonds9

About N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide

N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide (PubChem CID 80792142) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
PubChem CID80792142
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
SMILESCCCc1c(NC)ncnc1NCCC(=O)NC(C)CC
InChIInChI=1S/C15H27N5O/c1-5-7-12-14(16-4)18-10-19-15(12)17-9-8-13(21)20-11(3)6-2/h10-11H,5-9H2,1-4H3,(H,20,21)(H2,16,17,18,19)
InChIKeyPSQWZYKSNWLODG-UHFFFAOYSA-N
XLogP2.19
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide
CID 66369006
N-butan-2-yl-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686318
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide
CID 66329761
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide (CID 80792142) is N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide is CCCc1c(NC)ncnc1NCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
The InChIKey is PSQWZYKSNWLODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-7-12-14(16-4)18-10-19-15(12)17-9-8-13(21)20-11(3)6-2/h10-11H,5-9H2,1-4H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide?
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80792142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).