5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

C19H27N5O2 — CID 67374237

IUPAC5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1ccnc(N2CCN(CCCCn3cc(C)c(=O)[nH]c3=O)CC2)c1
InChIInChI=1S/C19H27N5O2/c1-15-5-6-20-17(13-15)23-11-9-22(10-12-23)7-3-4-8-24-14-16(2)18(25)21-19(24)26/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,25,26)
InChIKeySACXDNWYWGBGCU-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.15
Rot. Bonds6

About 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (PubChem CID 67374237) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
PubChem CID67374237
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1ccnc(N2CCN(CCCCn3cc(C)c(=O)[nH]c3=O)CC2)c1
InChIInChI=1S/C19H27N5O2/c1-15-5-6-20-17(13-15)23-11-9-22(10-12-23)7-3-4-8-24-14-16(2)18(25)21-19(24)26/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,25,26)
InChIKeySACXDNWYWGBGCU-UHFFFAOYSA-N
XLogP1.15
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (CID 67374237) is 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is Cc1ccnc(N2CCN(CCCCn3cc(C)c(=O)[nH]c3=O)CC2)c1.
What is the InChIKey of 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The InChIKey is SACXDNWYWGBGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-15-5-6-20-17(13-15)23-11-9-22(10-12-23)7-3-4-8-24-14-16(2)18(25)21-19(24)26/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,25,26).
What are the key properties of 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione has a molecular weight of 357.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67374237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).