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

C16H19N5O3 — CID 53107470

IUPAC1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCN(C(=O)c3cccnc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N5O3/c1-18-13(10-14(22)19(2)16(18)24)20-6-8-21(9-7-20)15(23)12-4-3-5-17-11-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYZWNQOWKVDOLEL-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.56
Rot. Bonds2

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

1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 53107470) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID53107470
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCN(C(=O)c3cccnc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N5O3/c1-18-13(10-14(22)19(2)16(18)24)20-6-8-21(9-7-20)15(23)12-4-3-5-17-11-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYZWNQOWKVDOLEL-UHFFFAOYSA-N
XLogP-0.56
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 20932958
6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 53107462
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[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-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
1,3-dimethyl-6-[4-[3-[4-nitro-2-(pyridine-3-carbonyl)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 67839381
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione (CID 53107470) is 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione is Cn1c(N2CCN(C(=O)c3cccnc3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is YZWNQOWKVDOLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-18-13(10-14(22)19(2)16(18)24)20-6-8-21(9-7-20)15(23)12-4-3-5-17-11-12/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 53107470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).