4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C12H20N4O2 — CID 136827340

IUPAC4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCCN)C2CCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-18-10-11(14-8-15-12(10)17)16(7-3-6-13)9-4-2-5-9/h8-9H,2-7,13H2,1H3,(H,14,15,17)
InChIKeyPJVWIXALIKDKDK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.49
Rot. Bonds6

About 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136827340) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136827340
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCCN)C2CCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-18-10-11(14-8-15-12(10)17)16(7-3-6-13)9-4-2-5-9/h8-9H,2-7,13H2,1H3,(H,14,15,17)
InChIKeyPJVWIXALIKDKDK-UHFFFAOYSA-N
XLogP0.49
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136827340) is 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CCCN)C2CCC2)nc[nH]c1=O.
What is the InChIKey of 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PJVWIXALIKDKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-10-11(14-8-15-12(10)17)16(7-3-6-13)9-4-2-5-9/h8-9H,2-7,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136827340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).