3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride

C18H27ClN4O2 — CID 11632026

IUPAC3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCCc1cc(Nc2cc(=O)n(CCCCCN)c(=O)[nH]2)ccc1C.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-3-14-11-15(8-7-13(14)2)20-16-12-17(23)22(18(24)21-16)10-6-4-5-9-19;/h7-8,11-12,20H,3-6,9-10,19H2,1-2H3,(H,21,24);1H
InChIKeyWOIXWEJBMWKXKA-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.70
Rot. Bonds8

About 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride

3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 11632026) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID11632026
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCCc1cc(Nc2cc(=O)n(CCCCCN)c(=O)[nH]2)ccc1C.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-3-14-11-15(8-7-13(14)2)20-16-12-17(23)22(18(24)21-16)10-6-4-5-9-19;/h7-8,11-12,20H,3-6,9-10,19H2,1-2H3,(H,21,24);1H
InChIKeyWOIXWEJBMWKXKA-UHFFFAOYSA-N
XLogP2.70
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride (CID 11632026) is 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride is CCc1cc(Nc2cc(=O)n(CCCCCN)c(=O)[nH]2)ccc1C.Cl.
What is the InChIKey of 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is WOIXWEJBMWKXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-3-14-11-15(8-7-13(14)2)20-16-12-17(23)22(18(24)21-16)10-6-4-5-9-19;/h7-8,11-12,20H,3-6,9-10,19H2,1-2H3,(H,21,24);1H.
What are the key properties of 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride?
3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopentyl)-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 11632026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).