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

C19H27ClN4O3 — CID 68655962

IUPAC6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCCc1cc(Nc2cc(=O)n(CCN3CCOCC3)c(=O)[nH]2)ccc1C.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-3-15-12-16(5-4-14(15)2)20-17-13-18(24)23(19(25)21-17)7-6-22-8-10-26-11-9-22;/h4-5,12-13,20H,3,6-11H2,1-2H3,(H,21,25);1H
InChIKeyGAKYJFYHCYZZTF-UHFFFAOYSA-N
MW394.90 g/mol
LogP1.91
Rot. Bonds6

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

6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 68655962) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID68655962
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCCc1cc(Nc2cc(=O)n(CCN3CCOCC3)c(=O)[nH]2)ccc1C.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-3-15-12-16(5-4-14(15)2)20-17-13-18(24)23(19(25)21-17)7-6-22-8-10-26-11-9-22;/h4-5,12-13,20H,3,6-11H2,1-2H3,(H,21,25);1H
InChIKeyGAKYJFYHCYZZTF-UHFFFAOYSA-N
XLogP1.91
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride (CID 68655962) is 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride is CCc1cc(Nc2cc(=O)n(CCN3CCOCC3)c(=O)[nH]2)ccc1C.Cl.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is GAKYJFYHCYZZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-3-15-12-16(5-4-14(15)2)20-17-13-18(24)23(19(25)21-17)7-6-22-8-10-26-11-9-22;/h4-5,12-13,20H,3,6-11H2,1-2H3,(H,21,25);1H.
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(2-morpholin-4-ylethyl)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 68655962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).