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

C20H29N5O2 — CID 52941162

IUPAC1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione
SMILESCc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C20H29N5O2/c1-16-7-4-5-8-17(16)25-13-11-24(12-14-25)10-6-9-21-18-15-19(26)23(3)20(27)22(18)2/h4-5,7-8,15,21H,6,9-14H2,1-3H3
InChIKeyDBCOXXBOSRRLEV-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.02
Rot. Bonds6

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

1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione (PubChem CID 52941162) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione
PubChem CID52941162
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione
SMILESCc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C20H29N5O2/c1-16-7-4-5-8-17(16)25-13-11-24(12-14-25)10-6-9-21-18-15-19(26)23(3)20(27)22(18)2/h4-5,7-8,15,21H,6,9-14H2,1-3H3
InChIKeyDBCOXXBOSRRLEV-UHFFFAOYSA-N
XLogP1.02
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione (CID 52941162) is 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione is Cc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione?
The InChIKey is DBCOXXBOSRRLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-16-7-4-5-8-17(16)25-13-11-24(12-14-25)10-6-9-21-18-15-19(26)23(3)20(27)22(18)2/h4-5,7-8,15,21H,6,9-14H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione?
1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione has a molecular weight of 371.49 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 52941162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).