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

C10H13ClN4O — CID 146533977

IUPACN-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
SMILESC=Nc1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C10H13ClN4O/c1-7-6-16-4-3-15(7)9-5-8(12-2)13-10(11)14-9/h5,7H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyHSNNNYYCMINTBZ-SSDOTTSWSA-N
MW240.69 g/mol
LogP1.69
Rot. Bonds2

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

N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine (PubChem CID 146533977) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine.

Molecular Properties

Compound NameN-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
PubChem CID146533977
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC NameN-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
SMILESC=Nc1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C10H13ClN4O/c1-7-6-16-4-3-15(7)9-5-8(12-2)13-10(11)14-9/h5,7H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyHSNNNYYCMINTBZ-SSDOTTSWSA-N
XLogP1.69
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.69
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
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
CID 139406092
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-(prop-1-en-2-ylsulfonylmethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 89053604
CID 167996467
CID 167996467
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
The IUPAC name of N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine (CID 146533977) is N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine.
What is the SMILES notation for N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
The canonical SMILES for N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine is C=Nc1cc(N2CCOC[C@H]2C)nc(Cl)n1.
What is the InChIKey of N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
The InChIKey is HSNNNYYCMINTBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-7-6-16-4-3-15(7)9-5-8(12-2)13-10(11)14-9/h5,7H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine has a molecular weight of 240.69 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine is sourced from PubChem (CID 146533977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).