N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide

C13H20N4O3 — CID 79386217

IUPACN-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
SMILESCOc1ncnc(OC)c1CNCCC(=O)NC1CC1
InChIInChI=1S/C13H20N4O3/c1-19-12-10(13(20-2)16-8-15-12)7-14-6-5-11(18)17-9-3-4-9/h8-9,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyFEVMNZQYBNRAIZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.25
Rot. Bonds8

About N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide

N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide (PubChem CID 79386217) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
PubChem CID79386217
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
SMILESCOc1ncnc(OC)c1CNCCC(=O)NC1CC1
InChIInChI=1S/C13H20N4O3/c1-19-12-10(13(20-2)16-8-15-12)7-14-6-5-11(18)17-9-3-4-9/h8-9,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyFEVMNZQYBNRAIZ-UHFFFAOYSA-N
XLogP0.25
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 61022788
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
CID 60864470
N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide
CID 79385382
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 60919921
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
CID 78977647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide (CID 79386217) is N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide is COc1ncnc(OC)c1CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
The InChIKey is FEVMNZQYBNRAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-19-12-10(13(20-2)16-8-15-12)7-14-6-5-11(18)17-9-3-4-9/h8-9,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide has a molecular weight of 280.33 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide is sourced from PubChem (CID 79386217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).