4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C16H28N4O — CID 136805343

IUPAC4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCNC2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H28N4O/c1-11(2)16-18-14(8-15(21)19-16)20(12(3)4)10-13-6-5-7-17-9-13/h8,11-13,17H,5-7,9-10H2,1-4H3,(H,18,19,21)
InChIKeyKMQBISCGBGNVIH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds5

About 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136805343) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136805343
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCNC2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H28N4O/c1-11(2)16-18-14(8-15(21)19-16)20(12(3)4)10-13-6-5-7-17-9-13/h8,11-13,17H,5-7,9-10H2,1-4H3,(H,18,19,21)
InChIKeyKMQBISCGBGNVIH-UHFFFAOYSA-N
XLogP2.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(piperidin-3-ylmethyl)-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 106643134
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024
N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
CID 106643142
4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972556
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106643074

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136805343) is 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CC2CCCNC2)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KMQBISCGBGNVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)16-18-14(8-15(21)19-16)20(12(3)4)10-13-6-5-7-17-9-13/h8,11-13,17H,5-7,9-10H2,1-4H3,(H,18,19,21).
What are the key properties of 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).