1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione

C17H21N5O3 — CID 20932958

IUPAC1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCc1c(N2CCN(C(=O)c3cccnc3)CC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H21N5O3/c1-12-14(16(24)20(3)17(25)19(12)2)21-7-9-22(10-8-21)15(23)13-5-4-6-18-11-13/h4-6,11H,7-10H2,1-3H3
InChIKeySWDBRNVMZOCTGZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.25
Rot. Bonds2

About 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione

1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 20932958) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID20932958
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCc1c(N2CCN(C(=O)c3cccnc3)CC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H21N5O3/c1-12-14(16(24)20(3)17(25)19(12)2)21-7-9-22(10-8-21)15(23)13-5-4-6-18-11-13/h4-6,11H,7-10H2,1-3H3
InChIKeySWDBRNVMZOCTGZ-UHFFFAOYSA-N
XLogP-0.25
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 53107470
1-methyl-3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-2-one
CID 23543785
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
1,3-dimethyl-8-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7H-purine-2,6-dione
CID 91948346
[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82331752
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione (CID 20932958) is 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione is Cc1c(N2CCN(C(=O)c3cccnc3)CC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is SWDBRNVMZOCTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-14(16(24)20(3)17(25)19(12)2)21-7-9-22(10-8-21)15(23)13-5-4-6-18-11-13/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 20932958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).