5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one

C14H24N4O2 — CID 136805293

IUPAC5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCCN2)C(C)C)nc[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-10(2)18(8-11-6-4-5-7-15-11)13-12(20-3)14(19)17-9-16-13/h9-11,15H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyIVKLTJCUTSJQIL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.14
Rot. Bonds5

About 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136805293) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136805293
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCCN2)C(C)C)nc[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-10(2)18(8-11-6-4-5-7-15-11)13-12(20-3)14(19)17-9-16-13/h9-11,15H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyIVKLTJCUTSJQIL-UHFFFAOYSA-N
XLogP1.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57205020
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 114585284
5-methoxy-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586420
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one (CID 136805293) is 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one is COc1c(N(CC2CCCCN2)C(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is IVKLTJCUTSJQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)18(8-11-6-4-5-7-15-11)13-12(20-3)14(19)17-9-16-13/h9-11,15H,4-8H2,1-3H3,(H,16,17,19).
What are the key properties of 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).