(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride

C21H25ClN4O2 — CID 86702429

IUPAC(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
SMILESCc1cc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccoc2C)ccn1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-13-9-17(5-7-22-13)19-10-23-21(25-11-14(2)27-15(3)12-25)24-20(19)18-6-8-26-16(18)4;/h5-10,14-15H,11-12H2,1-4H3;1H/t14-,15+;
InChIKeyJVDGISOAXAPZTO-KBGJBQQCSA-N
MW400.91 g/mol
LogP4.45
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride

(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride (PubChem CID 86702429) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
PubChem CID86702429
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
SMILESCc1cc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccoc2C)ccn1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-13-9-17(5-7-22-13)19-10-23-21(25-11-14(2)27-15(3)12-25)24-20(19)18-6-8-26-16(18)4;/h5-10,14-15H,11-12H2,1-4H3;1H/t14-,15+;
InChIKeyJVDGISOAXAPZTO-KBGJBQQCSA-N
XLogP4.45
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202249
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
5-Benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 44423534
7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 46880424
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride (CID 86702429) is (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride is Cc1cc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccoc2C)ccn1.Cl.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride?
The InChIKey is JVDGISOAXAPZTO-KBGJBQQCSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-13-9-17(5-7-22-13)19-10-23-21(25-11-14(2)27-15(3)12-25)24-20(19)18-6-8-26-16(18)4;/h5-10,14-15H,11-12H2,1-4H3;1H/t14-,15+;.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride?
(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride is sourced from PubChem (CID 86702429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).