azane;3-methyl-4-pyrimidin-4-ylmorpholine

C9H16N4O — CID 175987866

IUPACazane;3-methyl-4-pyrimidin-4-ylmorpholine
SMILESCC1COCCN1c1ccncn1.N
InChIInChI=1S/C9H13N3O.H3N/c1-8-6-13-5-4-12(8)9-2-3-10-7-11-9;/h2-3,7-8H,4-6H2,1H3;1H3
InChIKeyAIWSETIWSQVDTG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds1

About azane;3-methyl-4-pyrimidin-4-ylmorpholine

azane;3-methyl-4-pyrimidin-4-ylmorpholine (PubChem CID 175987866) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is azane;3-methyl-4-pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Nameazane;3-methyl-4-pyrimidin-4-ylmorpholine
PubChem CID175987866
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Nameazane;3-methyl-4-pyrimidin-4-ylmorpholine
SMILESCC1COCCN1c1ccncn1.N
InChIInChI=1S/C9H13N3O.H3N/c1-8-6-13-5-4-12(8)9-2-3-10-7-11-9;/h2-3,7-8H,4-6H2,1H3;1H3
InChIKeyAIWSETIWSQVDTG-UHFFFAOYSA-N
XLogP0.86
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine
CID 175079402
4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 68555623
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
[2-chloro-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methyl-phenylsulfanium
CID 143742143
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
N-methyl-1-[6-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62281160
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
2-(3-methylmorpholin-4-yl)-2-pyrimidin-4-ylethanamine
CID 63986052
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999

Frequently Asked Questions

What is the IUPAC name of azane;3-methyl-4-pyrimidin-4-ylmorpholine?
The IUPAC name of azane;3-methyl-4-pyrimidin-4-ylmorpholine (CID 175987866) is azane;3-methyl-4-pyrimidin-4-ylmorpholine.
What is the SMILES notation for azane;3-methyl-4-pyrimidin-4-ylmorpholine?
The canonical SMILES for azane;3-methyl-4-pyrimidin-4-ylmorpholine is CC1COCCN1c1ccncn1.N.
What is the InChIKey of azane;3-methyl-4-pyrimidin-4-ylmorpholine?
The InChIKey is AIWSETIWSQVDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.H3N/c1-8-6-13-5-4-12(8)9-2-3-10-7-11-9;/h2-3,7-8H,4-6H2,1H3;1H3.
What are the key properties of azane;3-methyl-4-pyrimidin-4-ylmorpholine?
azane;3-methyl-4-pyrimidin-4-ylmorpholine has a molecular weight of 196.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methyl-4-pyrimidin-4-ylmorpholine is sourced from PubChem (CID 175987866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).