4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C14H22N4O2 — CID 136805352

IUPAC4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCNC2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(11-4-5-11)8-10-3-2-6-15-7-10/h9-11,15H,2-8H2,1H3,(H,16,17,19)
InChIKeySQFXTOAJPIOFDO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.75
Rot. Bonds5

About 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136805352) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136805352
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCNC2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(11-4-5-11)8-10-3-2-6-15-7-10/h9-11,15H,2-8H2,1H3,(H,16,17,19)
InChIKeySQFXTOAJPIOFDO-UHFFFAOYSA-N
XLogP0.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136742758
2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745653
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780996
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136805352) is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CC2CCCNC2)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SQFXTOAJPIOFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(11-4-5-11)8-10-3-2-6-15-7-10/h9-11,15H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136805352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).