4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C14H21N3O2 — CID 136852169

IUPAC4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CC2)nc(CC2CCCCO2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-14-7-11(9-15-10-4-5-10)16-13(17-14)8-12-3-1-2-6-19-12/h7,10,12,15H,1-6,8-9H2,(H,16,17,18)
InChIKeyFSFXJJQRIBWNHT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds5

About 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136852169) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136852169
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CC2)nc(CC2CCCCO2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-14-7-11(9-15-10-4-5-10)16-13(17-14)8-12-3-1-2-6-19-12/h7,10,12,15H,1-6,8-9H2,(H,16,17,18)
InChIKeyFSFXJJQRIBWNHT-UHFFFAOYSA-N
XLogP1.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136964515
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852170
2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740724
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136888750
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886307
2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 154793646
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740718
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136852169) is 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(CNC2CC2)nc(CC2CCCCO2)[nH]1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is FSFXJJQRIBWNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14-7-11(9-15-10-4-5-10)16-13(17-14)8-12-3-1-2-6-19-12/h7,10,12,15H,1-6,8-9H2,(H,16,17,18).
What are the key properties of 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).