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

C16H26N4O — CID 136805292

IUPAC4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C16H26N4O/c1-11(2)16-18-14(9-15(21)19-16)20(13-6-7-13)10-12-5-3-4-8-17-12/h9,11-13,17H,3-8,10H2,1-2H3,(H,18,19,21)
InChIKeyJPMHXGXNIUDDON-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds5

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

4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136805292) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136805292
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C16H26N4O/c1-11(2)16-18-14(9-15(21)19-16)20(13-6-7-13)10-12-5-3-4-8-17-12/h9,11-13,17H,3-8,10H2,1-2H3,(H,18,19,21)
InChIKeyJPMHXGXNIUDDON-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
6-[(4-cyclohexylpiperazino)methyl]-2-isopropyl-4(3H)-pyrimidinone
CID 136087957
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-cyclopropyl-4-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-6-one
CID 135737097
2-{2-[(1-isobutylpiperidin-4-yl)amino]ethyl}-6-methylpyrimidin-4(3H)-one
CID 136015663
4-amino-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 136077497
4-amino-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 136077565
4-amino-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 136077645
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136124427
4-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136124428

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136805292) is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JPMHXGXNIUDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)16-18-14(9-15(21)19-16)20(13-6-7-13)10-12-5-3-4-8-17-12/h9,11-13,17H,3-8,10H2,1-2H3,(H,18,19,21).
What are the key properties of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 290.41 g/mol, XLogP of 2.00, 5 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]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).