3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol

C19H24N4O3 — CID 90426358

IUPAC3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
SMILESCc1c(NC2CCOC2)nc(-c2cccc(O)c2)nc1N1CCOCC1
InChIInChI=1S/C19H24N4O3/c1-13-17(20-15-5-8-26-12-15)21-18(14-3-2-4-16(24)11-14)22-19(13)23-6-9-25-10-7-23/h2-4,11,15,24H,5-10,12H2,1H3,(H,20,21,22)
InChIKeyJOFZODMYMQVLAL-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.20
Rot. Bonds4

About 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol

3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol (PubChem CID 90426358) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
PubChem CID90426358
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
SMILESCc1c(NC2CCOC2)nc(-c2cccc(O)c2)nc1N1CCOCC1
InChIInChI=1S/C19H24N4O3/c1-13-17(20-15-5-8-26-12-15)21-18(14-3-2-4-16(24)11-14)22-19(13)23-6-9-25-10-7-23/h2-4,11,15,24H,5-10,12H2,1H3,(H,20,21,22)
InChIKeyJOFZODMYMQVLAL-UHFFFAOYSA-N
XLogP2.20
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol (CID 90426358) is 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol is Cc1c(NC2CCOC2)nc(-c2cccc(O)c2)nc1N1CCOCC1.
What is the InChIKey of 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol?
The InChIKey is JOFZODMYMQVLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-17(20-15-5-8-26-12-15)21-18(14-3-2-4-16(24)11-14)22-19(13)23-6-9-25-10-7-23/h2-4,11,15,24H,5-10,12H2,1H3,(H,20,21,22).
What are the key properties of 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol?
3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 90426358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).