3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione

C14H18N4O2 — CID 106933750

IUPAC3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESCc1cccc(Cn2ccc(=O)n(CCCN)c2=O)n1
InChIInChI=1S/C14H18N4O2/c1-11-4-2-5-12(16-11)10-17-9-6-13(19)18(14(17)20)8-3-7-15/h2,4-6,9H,3,7-8,10,15H2,1H3
InChIKeyWIRPINXYCAMFLY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.11
Rot. Bonds5

About 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione

3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 106933750) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID106933750
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESCc1cccc(Cn2ccc(=O)n(CCCN)c2=O)n1
InChIInChI=1S/C14H18N4O2/c1-11-4-2-5-12(16-11)10-17-9-6-13(19)18(14(17)20)8-3-7-15/h2,4-6,9H,3,7-8,10,15H2,1H3
InChIKeyWIRPINXYCAMFLY-UHFFFAOYSA-N
XLogP0.11
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 106933888
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905
3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 106933940
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione (CID 106933750) is 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione is Cc1cccc(Cn2ccc(=O)n(CCCN)c2=O)n1.
What is the InChIKey of 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is WIRPINXYCAMFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-4-2-5-12(16-11)10-17-9-6-13(19)18(14(17)20)8-3-7-15/h2,4-6,9H,3,7-8,10,15H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).