3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol

C20H21N5O2 — CID 53320906

IUPAC3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(NCc3ccncc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H21N5O2/c26-17-3-1-2-16(12-17)18-13-19(22-14-15-4-6-21-7-5-15)24-20(23-18)25-8-10-27-11-9-25/h1-7,12-13,26H,8-11,14H2,(H,22,23,24)
InChIKeySJPTWPFNOASQEM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol

3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol (PubChem CID 53320906) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol
PubChem CID53320906
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(NCc3ccncc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H21N5O2/c26-17-3-1-2-16(12-17)18-13-19(22-14-15-4-6-21-7-5-15)24-20(23-18)25-8-10-27-11-9-25/h1-7,12-13,26H,8-11,14H2,(H,22,23,24)
InChIKeySJPTWPFNOASQEM-UHFFFAOYSA-N
XLogP2.69
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
CID 24894017
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-4-yl]phenyl]urea
CID 11223897
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 14347182
3-(4-Morpholin-4-ylpyrimidin-2-yl)phenol
CID 16049456
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526

Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol (CID 53320906) is 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol is Oc1cccc(-c2cc(NCc3ccncc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol?
The InChIKey is SJPTWPFNOASQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-17-3-1-2-16(12-17)18-13-19(22-14-15-4-6-21-7-5-15)24-20(23-18)25-8-10-27-11-9-25/h1-7,12-13,26H,8-11,14H2,(H,22,23,24).
What are the key properties of 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol?
3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol has a molecular weight of 363.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 53320906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).