1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine

C11H15ClN4O — CID 139406092

IUPAC1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
SMILESC/N=C/c1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C11H15ClN4O/c1-8-7-17-4-3-16(8)10-5-9(6-13-2)14-11(12)15-10/h5-6,8H,3-4,7H2,1-2H3/b13-6+/t8-/m1/s1
InChIKeyKAJLDKILSJUZGC-VVESDKHQSA-N
MW254.72 g/mol
LogP1.40
Rot. Bonds2

About 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine

1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine (PubChem CID 139406092) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
PubChem CID139406092
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
SMILESC/N=C/c1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C11H15ClN4O/c1-8-7-17-4-3-16(8)10-5-9(6-13-2)14-11(12)15-10/h5-6,8H,3-4,7H2,1-2H3/b13-6+/t8-/m1/s1
InChIKeyKAJLDKILSJUZGC-VVESDKHQSA-N
XLogP1.40
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
CID 88545272
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
CID 167996467
CID 167996467
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406180

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine?
The IUPAC name of 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine (CID 139406092) is 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine?
The canonical SMILES for 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine is C/N=C/c1cc(N2CCOC[C@H]2C)nc(Cl)n1.
What is the InChIKey of 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine?
The InChIKey is KAJLDKILSJUZGC-VVESDKHQSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-8-7-17-4-3-16(8)10-5-9(6-13-2)14-11(12)15-10/h5-6,8H,3-4,7H2,1-2H3/b13-6+/t8-/m1/s1.
What are the key properties of 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine?
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine has a molecular weight of 254.72 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine is sourced from PubChem (CID 139406092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).