3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

C16H21N5O2 — CID 126940770

IUPAC3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCOc1ccnc(N2CCC(Cn3cncc(C)c3=O)CC2)n1
InChIInChI=1S/C16H21N5O2/c1-12-9-17-11-21(15(12)22)10-13-4-7-20(8-5-13)16-18-6-3-14(19-16)23-2/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
InChIKeySETWSEWVRZPWBS-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.27
Rot. Bonds4

About 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940770) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940770
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCOc1ccnc(N2CCC(Cn3cncc(C)c3=O)CC2)n1
InChIInChI=1S/C16H21N5O2/c1-12-9-17-11-21(15(12)22)10-13-4-7-20(8-5-13)16-18-6-3-14(19-16)23-2/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
InChIKeySETWSEWVRZPWBS-UHFFFAOYSA-N
XLogP1.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941234
3-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940763
3-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940695
3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
CID 126857617
5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940939
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
5-methyl-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940731
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940857
3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940860

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940770) is 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is COc1ccnc(N2CCC(Cn3cncc(C)c3=O)CC2)n1.
What is the InChIKey of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is SETWSEWVRZPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-9-17-11-21(15(12)22)10-13-4-7-20(8-5-13)16-18-6-3-14(19-16)23-2/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3.
What are the key properties of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).