1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione

C15H21N5O2 — CID 51104402

IUPAC1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN2CCC(c3ccn[nH]3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O2/c1-18-12(9-14(21)19(2)15(18)22)10-20-7-4-11(5-8-20)13-3-6-16-17-13/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyPBHSOJUZLXANQJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.19
Rot. Bonds3

About 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 51104402) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID51104402
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN2CCC(c3ccn[nH]3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O2/c1-18-12(9-14(21)19(2)15(18)22)10-20-7-4-11(5-8-20)13-3-6-16-17-13/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyPBHSOJUZLXANQJ-UHFFFAOYSA-N
XLogP0.19
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione (CID 51104402) is 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione is Cn1c(CN2CCC(c3ccn[nH]3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is PBHSOJUZLXANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18-12(9-14(21)19(2)15(18)22)10-20-7-4-11(5-8-20)13-3-6-16-17-13/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 303.37 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 51104402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).