1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine

C12H20N4O3 — CID 115355411

IUPAC1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine
SMILESCOc1cc(OC)nc(N2CCOC(C(C)N)C2)n1
InChIInChI=1S/C12H20N4O3/c1-8(13)9-7-16(4-5-19-9)12-14-10(17-2)6-11(15-12)18-3/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeyBQZPRJPCHAAONL-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.05
Rot. Bonds4

About 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine

1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine (PubChem CID 115355411) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine
PubChem CID115355411
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine
SMILESCOc1cc(OC)nc(N2CCOC(C(C)N)C2)n1
InChIInChI=1S/C12H20N4O3/c1-8(13)9-7-16(4-5-19-9)12-14-10(17-2)6-11(15-12)18-3/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeyBQZPRJPCHAAONL-UHFFFAOYSA-N
XLogP0.05
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
1-[4-(2,6-dimethyl-4-pyridinyl)morpholin-2-yl]ethanamine
CID 114272217
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
1-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine
CID 115315853
1-[4-(5,6-dimethylpyrazin-2-yl)morpholin-2-yl]ethanamine
CID 114476599
1-[4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-2-yl]ethanamine
CID 115315885
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine (CID 115355411) is 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine is COc1cc(OC)nc(N2CCOC(C(C)N)C2)n1.
What is the InChIKey of 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine?
The InChIKey is BQZPRJPCHAAONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(13)9-7-16(4-5-19-9)12-14-10(17-2)6-11(15-12)18-3/h6,8-9H,4-5,7,13H2,1-3H3.
What are the key properties of 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine?
1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115355411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).