4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C13H20N4O — CID 136805291

IUPAC4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCCN2)C2CC2)nc[nH]1
InChIInChI=1S/C13H20N4O/c18-13-7-12(15-9-16-13)17(11-4-5-11)8-10-3-1-2-6-14-10/h7,9-11,14H,1-6,8H2,(H,15,16,18)
InChIKeyTZTVJVLXHRSNGU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.88
Rot. Bonds4

About 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805291) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805291
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCCN2)C2CC2)nc[nH]1
InChIInChI=1S/C13H20N4O/c18-13-7-12(15-9-16-13)17(11-4-5-11)8-10-3-1-2-6-14-10/h7,9-11,14H,1-6,8H2,(H,15,16,18)
InChIKeyTZTVJVLXHRSNGU-UHFFFAOYSA-N
XLogP0.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 154781909
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
2-(piperidin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 145572095
2-[(3R)-3-(cyclopropylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 168958216
2-[3-(cyclopropylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 169743680

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805291) is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CC2CCCCN2)C2CC2)nc[nH]1.
What is the InChIKey of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is TZTVJVLXHRSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13-7-12(15-9-16-13)17(11-4-5-11)8-10-3-1-2-6-14-10/h7,9-11,14H,1-6,8H2,(H,15,16,18).
What are the key properties of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).