(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine

C20H21N3O3 — CID 95560815

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
SMILESCOc1ccc2cc([C@H]3CN(c4cc(OC)ncn4)CCO3)ccc2c1
InChIInChI=1S/C20H21N3O3/c1-24-17-6-5-14-9-16(4-3-15(14)10-17)18-12-23(7-8-26-18)19-11-20(25-2)22-13-21-19/h3-6,9-11,13,18H,7-8,12H2,1-2H3/t18-/m1/s1
InChIKeyLLWOJVCGMZQJRF-GOSISDBHSA-N
MW351.41 g/mol
LogP3.22
Rot. Bonds4

About (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine

(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine (PubChem CID 95560815) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
PubChem CID95560815
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
SMILESCOc1ccc2cc([C@H]3CN(c4cc(OC)ncn4)CCO3)ccc2c1
InChIInChI=1S/C20H21N3O3/c1-24-17-6-5-14-9-16(4-3-15(14)10-17)18-12-23(7-8-26-18)19-11-20(25-2)22-13-21-19/h3-6,9-11,13,18H,7-8,12H2,1-2H3/t18-/m1/s1
InChIKeyLLWOJVCGMZQJRF-GOSISDBHSA-N
XLogP3.22
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
CID 56878637
(2R)-2-(6-methoxynaphthalen-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95551868
4-(2,5-dimethylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56876687
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 95402148
(2R)-4-(3-fluoro-4-pyridinyl)-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95463748
N-ethyl-6-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyridine-3-carboxamide
CID 95558757
1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
(5-hydroxy-2-pyridinyl)-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555607
(2-amino-4-pyridinyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine (CID 95560815) is (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine is COc1ccc2cc([C@H]3CN(c4cc(OC)ncn4)CCO3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The InChIKey is LLWOJVCGMZQJRF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-17-6-5-14-9-16(4-3-15(14)10-17)18-12-23(7-8-26-18)19-11-20(25-2)22-13-21-19/h3-6,9-11,13,18H,7-8,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine?
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine has a molecular weight of 351.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 95560815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).