3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol

C20H26N4O3 — CID 50908575

IUPAC3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(NC3CCC(O)CC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N4O3/c25-16-6-4-15(5-7-16)21-19-13-18(14-2-1-3-17(26)12-14)22-20(23-19)24-8-10-27-11-9-24/h1-3,12-13,15-16,25-26H,4-11H2,(H,21,22,23)
InChIKeyJALSYQNUPUEGOV-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.40
Rot. Bonds4

About 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol

3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol (PubChem CID 50908575) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol
PubChem CID50908575
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(NC3CCC(O)CC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N4O3/c25-16-6-4-15(5-7-16)21-19-13-18(14-2-1-3-17(26)12-14)22-20(23-19)24-8-10-27-11-9-24/h1-3,12-13,15-16,25-26H,4-11H2,(H,21,22,23)
InChIKeyJALSYQNUPUEGOV-UHFFFAOYSA-N
XLogP2.40
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The IUPAC name of 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol (CID 50908575) is 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The canonical SMILES for 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol is Oc1cccc(-c2cc(NC3CCC(O)CC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The InChIKey is JALSYQNUPUEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-16-6-4-15(5-7-16)21-19-13-18(14-2-1-3-17(26)12-14)22-20(23-19)24-8-10-27-11-9-24/h1-3,12-13,15-16,25-26H,4-11H2,(H,21,22,23).
What are the key properties of 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol?
3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol has a molecular weight of 370.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenol is sourced from PubChem (CID 50908575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).