5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride

C17H23ClN4O2 — CID 71298571

IUPAC5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CNCCO2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H
InChIKeyDXAKZOABIAYBEK-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.30
Rot. Bonds4

About 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride

5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride (PubChem CID 71298571) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride
PubChem CID71298571
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CNCCO2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H
InChIKeyDXAKZOABIAYBEK-UHFFFAOYSA-N
XLogP2.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride (CID 71298571) is 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride is COc1ccc(-c2cnc(N(C)C)nc2C2CNCCO2)cc1.Cl.
What is the InChIKey of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride?
The InChIKey is DXAKZOABIAYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H.
What are the key properties of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride?
5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 71298571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).