3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione

C14H15Cl2N3O2 — CID 106933923

IUPAC3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C14H15Cl2N3O2/c15-11-3-1-4-12(16)10(11)9-18-8-5-13(20)19(14(18)21)7-2-6-17/h1,3-5,8H,2,6-7,9,17H2
InChIKeyRNWGKHQLPPFXLR-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.71
Rot. Bonds5

About 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione

3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 106933923) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID106933923
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C14H15Cl2N3O2/c15-11-3-1-4-12(16)10(11)9-18-8-5-13(20)19(14(18)21)7-2-6-17/h1,3-5,8H,2,6-7,9,17H2
InChIKeyRNWGKHQLPPFXLR-UHFFFAOYSA-N
XLogP1.71
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione (CID 106933923) is 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione is NCCCn1c(=O)ccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is RNWGKHQLPPFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-11-3-1-4-12(16)10(11)9-18-8-5-13(20)19(14(18)21)7-2-6-17/h1,3-5,8H,2,6-7,9,17H2.
What are the key properties of 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 328.20 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).